In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 27th, 2006 | 20 | Yes |
Popular Name: 4-cyano-N-(4,6-dimethyl-2-pyridyl)-benzenesulfonamide 4-cyano-N-(4,6-dimethyl-2-pyridy…
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) | 2.40 | 5.78 | -11.99 | 1 | 5 | 0 | 83 | 287.344 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 5.84 | -40.41 | 0 | 5 | -1 | 85 | 286.336 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 5.96 | -36.83 | 2 | 5 | 1 | 84 | 288.352 | 3 | ↓ |