In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 4th, 2009 | 33 | Yes |
Popular Name: 1-[(3-bromophenyl)methyl]-N-[2-(3-pyridylmethylcarbamoyl)phenyl]piperidine-4-carboxamide 1-[(3-bromophenyl)methyl]-N-[2-(…
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) | 3.41 | 11.68 | -49.43 | 3 | 6 | 1 | 76 | 508.44 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.41 | 12.12 | -95.08 | 4 | 6 | 2 | 77 | 509.448 | 7 | ↓ |