| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 14 | No |
Popular Name: 5-methyl-4-[(1S)-1-(3-thienyl)ethyl]-1,2,4-triazole-3-thiol 5-methyl-4-[(1S)-1-(3-thienyl)et…
| 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) | 1.08 | 6.77 | -10.55 | 1 | 3 | 0 | 34 | 225.342 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 6.94 | -45.65 | 0 | 3 | -1 | 31 | 224.334 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
