In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2008 | 28 | Yes |
Popular Name: 1-[(3S)-3-(ethyl-(4-pyridylmethyl)amino)-1-piperidyl]-5-phenyl-pentan-1-one 1-[(3S)-3-(ethyl-(4-pyridylmethy…
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) | 3.67 | 12.84 | -46.29 | 1 | 4 | 1 | 38 | 380.556 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.67 | 13.12 | -102.02 | 2 | 4 | 2 | 39 | 381.564 | 9 | ↓ |