In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2011 | 21 | Yes |
Popular Name: 4-butyl-3-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one 4-butyl-3-[2-(4-methyl-1-piperid…
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) | 1.96 | 7.29 | -10.76 | 1 | 6 | 0 | 71 | 312.439 | 6 | ↓ |