In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2008 | 30 | Yes |
Popular Name: 1-[(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-3-(2-methylimidazol-1-yl)propan-1-one 1-[(3S)-3-(acenaphthene-5-carbon…
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) | 2.91 | 0.8 | -15.85 | 0 | 5 | 0 | 55 | 401.51 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 1.01 | -41.99 | 1 | 5 | 1 | 56 | 402.518 | 5 | ↓ |