In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 31 | 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) | 4.58 | 10.58 | -13.83 | 0 | 4 | 0 | 33 | 452.904 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.58 | 11.72 | -51.5 | 1 | 4 | 1 | 34 | 453.912 | 5 | ↓ |