| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 19 | No |
Popular Name: 4-[(3S)-1-ethyl-3-piperidyl]-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-[(3S)-1-ethyl-3-piperidyl]-5-(…
| 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) | 2.87 | 9.41 | -47.96 | 1 | 4 | 0 | 35 | 294.449 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 7.17 | -46.11 | 0 | 4 | -1 | 34 | 293.441 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 9.19 | -37.47 | 2 | 4 | 1 | 38 | 295.457 | 3 | ↓ |
