In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2010 | 20 | Yes |
Popular Name: 3-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]propanenitrile 3-[4-(benzenesulfonyl)-1,4-diaze…
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) | 0.87 | 4.5 | -13.35 | 0 | 5 | 0 | 64 | 293.392 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 6.37 | -59.75 | 1 | 5 | 1 | 66 | 294.4 | 4 | ↓ |