In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 31 | No |
Popular Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-nitrothiazol-2-yl)acetamide 2-[(5-benzyl-4-phenyl-1,2,4-tria…
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) | 3.66 | 13.22 | -17.97 | 1 | 9 | 0 | 119 | 452.521 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.84 | 11.99 | -38.68 | 0 | 9 | -1 | 125 | 451.513 | 8 | ↓ |