In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 37 | 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) | 4.01 | 12.58 | -51.43 | 0 | 9 | -1 | 113 | 516.603 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.01 | 11.45 | -25.97 | 1 | 9 | 0 | 110 | 517.611 | 8 | ↓ |