In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2006 | 26 | Yes |
Popular Name: 4-cyano-N-[3-[2-(2-pyridyl)vinyl]phenyl]-benzenesulfonamide 4-cyano-N-[3-[2-(2-pyridyl)vinyl…
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) | 3.64 | 8.14 | -13.15 | 1 | 5 | 0 | 83 | 361.426 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 8.25 | -42.07 | 0 | 5 | -1 | 85 | 360.418 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.64 | 8.35 | -42.85 | 2 | 5 | 1 | 84 | 362.434 | 5 | ↓ |