In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 34 | Yes |
Popular Name: N-(4-benzyloxyphenyl)-2-[[5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(4-benzyloxyphenyl)-2-[[5-(3-i…
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) | 5.65 | 11.9 | -14.09 | 2 | 7 | 0 | 89 | 474.586 | 10 | ↓ |
Hi High (pH 8-9.5) | 5.65 | 11.7 | -48.5 | 1 | 7 | -1 | 87 | 473.578 | 10 | ↓ |