In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 37 | 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) | 6.07 | 14.03 | -9.57 | 1 | 4 | 0 | 45 | 515.698 | 12 | ↓ |
Mid Mid (pH 6-8) | 6.07 | 16.24 | -58.3 | 2 | 4 | 1 | 46 | 516.706 | 12 | ↓ |