| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2010 | 19 | No |
Popular Name: 5-[(1-ethyl-4-piperidyl)-methyl-amino]-4-propyl-1,2,4-triazole-3-thiol 5-[(1-ethyl-4-piperidyl)-methyl-…
| 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) | 1.54 | 11.05 | -50.33 | 2 | 5 | 1 | 41 | 284.453 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 8.01 | -45.09 | 1 | 5 | 0 | 38 | 283.445 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 10.98 | -69.68 | 1 | 5 | 0 | 38 | 283.445 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.54 | 10.85 | -119.96 | 3 | 5 | 2 | 42 | 285.461 | 5 | ↓ |
