In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 34 | Yes |
Popular Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1-piperidyl)ethyl]pentanamide 5-[(5-benzyl-4-phenyl-1,2,4-tria…
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) | 4.81 | 16.39 | -51.59 | 2 | 6 | 1 | 64 | 478.686 | 12 | ↓ |
Hi High (pH 8-9.5) | 4.81 | 14.1 | -19.45 | 1 | 6 | 0 | 63 | 477.678 | 12 | ↓ |