| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 19 | No |
Popular Name: 4-[4-(1-piperidyl)phenyl]-3-sulfanyl-1H-1,2,4-triazol-5-one 4-[4-(1-piperidyl)phenyl]-3-sulf…
| 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) | 1.38 | 7.07 | -11.67 | 2 | 5 | 0 | 57 | 276.365 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 7.06 | -39.33 | 1 | 5 | -1 | 54 | 275.357 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.38 | 7.73 | -39.91 | 3 | 5 | 1 | 58 | 277.373 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
