| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 11th, 2010 | 18 | No |
Popular Name: 4-[(3R)-1-methyl-3-piperidyl]-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-[(3R)-1-methyl-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) | 2.49 | 8.76 | -51.26 | 1 | 4 | 0 | 35 | 280.422 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.49 | 6.36 | -46 | 0 | 4 | -1 | 34 | 279.414 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.77 | 8.52 | -39.53 | 2 | 4 | 1 | 38 | 281.43 | 2 | ↓ |
