In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 20 | Yes |
Popular Name: 5-bromo-N-[4-(cyanomethyl)phenyl]pyridine-3-sulfonamide 5-bromo-N-[4-(cyanomethyl)phenyl…
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) | 2.55 | 4.43 | -43.25 | 0 | 5 | -1 | 85 | 351.205 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.55 | 4.4 | -13.68 | 1 | 5 | 0 | 83 | 352.213 | 4 | ↓ |