In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2010 | 21 | Yes |
Popular Name: 2-[(2R)-2-(aminomethyl)-1-piperidyl]-N-[(1R)-1-(2-chlorophenyl)ethyl]acetamide 2-[(2R)-2-(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) | 2.24 | 6.39 | -126.32 | 5 | 4 | 2 | 61 | 311.857 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.24 | 4.67 | -48.78 | 4 | 4 | 1 | 60 | 310.849 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.24 | 5.92 | -35.4 | 4 | 4 | 1 | 60 | 310.849 | 5 | ↓ |