In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 33 | 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) | 7.42 | 11.95 | -9.06 | 2 | 5 | 0 | 69 | 466.025 | 7 | ↓ |
Mid Mid (pH 6-8) | 7.42 | 12.71 | -46.59 | 1 | 5 | -1 | 72 | 465.017 | 7 | ↓ |