| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 15 | No |
Popular Name: 5-[(3S)-2,3-dihydrobenzofuran-3-yl]-4H-1,2,4-triazole-3-thiol 5-[(3S)-2,3-dihydrobenzofuran-3-…
| 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) | 1.64 | 5.05 | -43.38 | 1 | 4 | -1 | 51 | 218.261 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 5.01 | -23.78 | 2 | 4 | 0 | 52 | 219.269 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
