In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 19 | Yes |
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) | 2.96 | 7.89 | -40.39 | 2 | 4 | 1 | 46 | 282.433 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.77 | 7.28 | -36.14 | 1 | 4 | 0 | 53 | 281.425 | 4 | ↓ |