In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2009 | 26 | Yes |
Popular Name: 2-[[5-[(4-chlorophenyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethylphenyl)acetamide 2-[[5-[(4-chlorophenyl)methyl]-4…
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 | 10.34 | -19.05 | 2 | 5 | 0 | 71 | 386.908 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.75 | 10.19 | -42.21 | 1 | 5 | -1 | 69 | 385.9 | 7 | ↓ |