In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2010 | 29 | Yes |
Popular Name: (1S,6S)-N-cyclohexyl-6-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxamide (1S,6S)-N-cyclohexyl-6-[4-(2-pyr…
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) | 3.03 | 11.2 | -36.71 | 2 | 6 | 1 | 67 | 397.543 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.03 | 10.9 | -13.37 | 1 | 6 | 0 | 66 | 396.535 | 4 | ↓ |