In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 21 | Yes |
Popular Name: 2-[4-[[(1R)-1-(4-chlorophenyl)propyl]amino]-1-piperidyl]acetamide 2-[4-[[(1R)-1-(4-chlorophenyl)pr…
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) | 1.49 | 6.11 | -116.55 | 5 | 4 | 2 | 64 | 311.857 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.49 | 3 | -8.96 | 3 | 4 | 0 | 58 | 309.841 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.49 | 5.2 | -41.7 | 4 | 4 | 1 | 60 | 310.849 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.49 | 3.92 | -46.24 | 4 | 4 | 1 | 63 | 310.849 | 6 | ↓ |