In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | Yes |
Popular Name: (1S,3R)-1-[(3-cyano-6-methyl-2-pyridyl)amino]-3-methyl-cyclohexanecarboxylic (1S,3R)-1-[(3-cyano-6-methyl-2-p…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -0.09 | 8.41 | -49.32 | 1 | 5 | -1 | 89 | 272.328 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.09 | 6.55 | -7.95 | 2 | 5 | 0 | 86 | 273.336 | 3 | ↓ |