| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 18 | No |
Popular Name: 5-[methyl-(1-methyl-4-piperidyl)amino]-4-propyl-1,2,4-triazole-3-thiol 5-[methyl-(1-methyl-4-piperidyl)…
| 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) | 1.17 | 10.4 | -51.42 | 2 | 5 | 1 | 41 | 270.426 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.89 | 7.2 | -45 | 1 | 5 | 0 | 38 | 269.418 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 10.33 | -71.32 | 1 | 5 | 0 | 38 | 269.418 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.17 | 10.2 | -119.5 | 3 | 5 | 2 | 42 | 271.434 | 4 | ↓ |
