| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 18 | No |
Popular Name: 4-(3-fluoro-4-methoxy-phenyl)-5-isopropyl-1,2,4-triazole-3-thiol 4-(3-fluoro-4-methoxy-phenyl)-5-…
| 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) | 2.22 | 7.86 | -10.83 | 1 | 4 | 0 | 43 | 267.329 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.95 | 7.84 | -49.51 | 0 | 4 | -1 | 40 | 266.321 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
