| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 16 | No |
Popular Name: 5-methyl-4-[(1S)-1-(2-thienyl)butyl]-1,2,4-triazole-3-thiol 5-methyl-4-[(1S)-1-(2-thienyl)bu…
| 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) | 2.45 | 9.05 | -11.75 | 1 | 3 | 0 | 34 | 253.396 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 8.97 | -42.11 | 0 | 3 | -1 | 31 | 252.388 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
