In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2010 | 29 | Yes |
Popular Name: 2-[[5-(4-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-acetamide 2-[[5-(4-chlorophenyl)-4-(p-toly…
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) | 4.75 | 12.44 | -16.34 | 1 | 6 | 0 | 73 | 441.969 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.94 | 11.2 | -46.84 | 0 | 6 | -1 | 79 | 440.961 | 6 | ↓ |