In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2009 | 39 | No |
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) | 2.56 | 13.8 | -44.29 | 2 | 8 | 0 | 113 | 528.605 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.56 | 12.92 | -58.79 | 1 | 8 | -1 | 108 | 527.597 | 11 | ↓ |