| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 17 | No |
Popular Name: 4-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-ethyl-1,2,4-triazole-3-thiol 4-[(1S)-1-(2,5-dimethyl-3-thieny…
| 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) | 2.10 | 8.85 | -12.11 | 1 | 3 | 0 | 34 | 267.423 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.82 | 8.59 | -46 | 0 | 3 | -1 | 31 | 266.415 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
