In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2009 | 32 | 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) | 3.18 | 10.39 | -11.24 | 0 | 6 | 0 | 54 | 433.531 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.18 | 12.69 | -49.11 | 1 | 6 | 1 | 55 | 434.539 | 4 | ↓ |