In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2010 | 26 | Yes |
Popular Name: 3-[[2-[[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic 3-[[2-[[5-(4-chlorophenyl)-4H-1,…
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) | 3.79 | 8.85 | -62.94 | 2 | 7 | -1 | 111 | 387.828 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.79 | 8.65 | -108.95 | 1 | 7 | -2 | 109 | 386.82 | 6 | ↓ |