In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 30 | No |
Popular Name: N-(5-nitrothiazol-2-yl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(5-nitrothiazol-2-yl)-2-[[4-ph…
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) | 2.42 | 10.44 | -18.53 | 1 | 10 | 0 | 131 | 439.482 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.60 | 9.21 | -38.15 | 0 | 10 | -1 | 138 | 438.474 | 7 | ↓ |