In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2010 | 20 | Yes |
Popular Name: 3-[(3R)-3-(aminomethyl)-1-piperidyl]-N-(3-chlorophenyl)propanamide 3-[(3R)-3-(aminomethyl)-1-piperi…
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) | 1.65 | 5.84 | -111.41 | 5 | 4 | 2 | 61 | 297.83 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.65 | 5.46 | -42.29 | 4 | 4 | 1 | 60 | 296.822 | 5 | ↓ |