====== ADVANCED PROPERTIES (ChemAxon) ======

**logP:** Logarithm of the octanol/water partition coefficient

**logD (at pH=7.4):** Logarithm of the octanol/water distribution coefficient at pH=7.4

**Negative charges (at pH=7.4):** Number of negative charges on the major microspecies at pH=7.4

**Positive charges (at pH=7.4):** Number of positive charges on the major microspecies at pH=7.4

**Total charge (at pH=7.4):** Total charge on the major microspecies at pH=7.4

**Number of charges (at pH=7.4):** Number of charges on the major microspecies at pH=7.4

**Strongest acidic pKa:** Lowest acidic pKa

**Strongest basic pKa:** Highest basic pKa

**Average charge (at pH=7.4):** Average charge of the microspecies population at pH=7.4

**Isoelectric point:** pH value where the net charge of an ionizable molecule is zero

**Exact mass:** Monoisotopic molecular mass calculated from the atomic masses of the most frequent natural isotopes

**Mass:** Average molecular mass calculated from the atomic masses of all isotopes weighted by their natural occurrence

**Molecular polarizability (at pH=7.4):** Molecular polarizability of the major microspecies at pH=7.4 calculated from atomic contributions

**Aliphatic atoms:** Number of aliphatic atoms

**Aliphatic bonds:** Number of aliphatic bonds

**Aliphatic rings:** Number of aliphatic rings

**Aromatic atoms:** Number of aromatic atoms

**Aromatic bonds:** Number of aromatic bonds

**Aromatic rings:** Number of aromatic rings

**ASA (at pH=7.4):** Total solvent accessible surface area (in Angstrom<sup>2</sup>) of major microspecies at pH=7.4

**ASA+ (at pH=7.4):** Solvent accessible surface area (in Angstrom<sup>2</sup>) of all atoms with positive partial charge of major microspecies at pH=7.4

**ASA- (at pH=7.4):** Solvent accessible surface area (in Angstrom<sup>2</sup>) of all atoms with negative partial charge of major microspecies at pH=7.4

**ASA_H (at pH=7.4):** Solvent accessible surface area (in Angstrom<sup>2</sup>) of all hydrophobic (|qi|<0.125) atoms (|qi| is the absolute value of the partial charge of the atom) of major microspecies at pH=7.4

**ASA_P (at pH=7.4):** Solvent accessible surface area (in Angstrom<sup>2</sup>) of all polar (|qi|>0.125) atoms (|qi| is the absolute value of the partial charge of the atom) of major microspecies at pH=7.4

**Bonds:** Number of bonds including bonds of hydrogen atoms

**Chiral centers:** Number of tetrahedral stereogenic center atoms.

**Hetero aliphatic rings:** Number of aliphatic heterocycles

**Hetero aromatic rings:** Number of aromatic heterocycles

**Hetero rings:** Number of heterocycles

**PSA (at pH=7.4):** Topological polar surface area of the major microspecies at pH=7.4

**PSA:** Topological polar surface area

**Rotatable bonds:** Number of rotatable bonds

**H-bond acceptors:** Number of hydrogen bond acceptor atoms

**H-bond acceptors (at pH=7.4):** Number of hydrogen bond acceptor atoms of the major microspecies at pH=7.4

**H-bond donors:** Number of hydrogen bond donor atoms

**H-bond donors (at pH=7.4):** Number of hydrogen bond donor atoms of the major microspecies at pH=7.4

**RO5 violations (at pH=7.4):** Number of [[http://en.wikipedia.org/wiki/Rule_of_five|rule-of-five]] violations of the major microspecies at pH=7.4

**RO5 violations:** Number of [[http://en.wikipedia.org/wiki/Rule_of_five|rule-of-five]] violations

**RO3 violations (at pH=7.4):** Number of [[http://www.nature.com/nrd/journal/v3/n8/box/nrd1467_BX1.html|rule-of-three]] violations of the major microspecies at pH=7.4

**RO3 violations:** Number of [[http://www.nature.com/nrd/journal/v3/n8/box/nrd1467_BX1.html|rule-of-three]] violations