In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2009 | 38 | 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) | 2.33 | 6.76 | -18.46 | 0 | 10 | 0 | 96 | 530.618 | 14 | ↓ |
Mid Mid (pH 6-8) | 2.33 | 9.03 | -63.85 | 1 | 10 | 1 | 97 | 531.626 | 14 | ↓ |