| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2010 | 20 | No |
Popular Name: 4-[(1S)-1-(3-chlorophenyl)ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-[(1S)-1-(3-chlorophenyl)ethyl]…
| 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) | 4.68 | 10.35 | -42.59 | 0 | 3 | -1 | 31 | 320.85 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.96 | 9.78 | -8.69 | 1 | 3 | 0 | 34 | 321.858 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
