In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 31 | Yes |
Popular Name: N-(3,4-dimethylphenyl)-4-(4-methylsulfonyl1,4-diazepane-1-carbonyl)benzenesulfonamide N-(3,4-dimethylphenyl)-4-(4-meth…
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) | 2.03 | 5.15 | -29.52 | 1 | 8 | 0 | 104 | 465.597 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.03 | 5.22 | -62.93 | 0 | 8 | -1 | 106 | 464.589 | 5 | ↓ |