In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2010 | 30 | Yes |
Popular Name: (1S,2R)-N-(cyclohexylmethyl)-2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarboxamide (1S,2R)-N-(cyclohexylmethyl)-2-[…
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) | 3.90 | 11.79 | -39.16 | 2 | 6 | 1 | 67 | 413.586 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.90 | 11.34 | -15.39 | 1 | 6 | 0 | 66 | 412.578 | 5 | ↓ |