In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 37 | Yes |
None
None
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) | 3.81 | 5.05 | -11.15 | 0 | 8 | 0 | 74 | 520.504 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.81 | 7.32 | -51.39 | 1 | 8 | 1 | 75 | 521.512 | 7 | ↓ |