In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 19 | Yes |
Popular Name: N-[4-(thiadiazol-4-yl)phenyl]-1H-triazole-4-carboxamide N-[4-(thiadiazol-4-yl)phenyl]-1H…
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) | 1.18 | 1.44 | -14.03 | 2 | 7 | 0 | 96 | 272.293 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 1.32 | -42.15 | 1 | 7 | -1 | 95 | 271.285 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.