In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 25 | No |
Popular Name: N-cyclohexyl-2-[[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclohexyl-2-[[5-(3-nitropheny…
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) | 3.37 | 8.27 | -14.91 | 2 | 8 | 0 | 116 | 361.427 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.37 | 8.07 | -45.03 | 1 | 8 | -1 | 115 | 360.419 | 6 | ↓ |