In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: (1S,2S)-2-[(4-bromo-2-thienyl)methyl-methyl-carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[(4-bromo-2-thienyl)me…
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) | 3.10 | 9.72 | -61.96 | 0 | 4 | -1 | 60 | 359.265 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.10 | 7.68 | -12.85 | 1 | 4 | 0 | 58 | 360.273 | 4 | ↓ |