In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2009 | 30 | 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) | 4.77 | 9.74 | -46.44 | 0 | 6 | -1 | 79 | 451.906 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.77 | 9.64 | -15.42 | 1 | 6 | 0 | 77 | 452.914 | 4 | ↓ |