In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 36 | 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) | 3.15 | 7.72 | -62.74 | 0 | 9 | -1 | 116 | 515.608 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.15 | 6.96 | -20.97 | 1 | 9 | 0 | 113 | 516.616 | 11 | ↓ |