In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 11th, 2009 | 38 | 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) | 2.39 | 10.92 | -60.56 | 0 | 9 | -1 | 110 | 515.542 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.39 | 9.62 | -25.4 | 1 | 9 | 0 | 107 | 516.55 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.39 | 10.06 | -64.16 | 2 | 9 | 1 | 109 | 517.558 | 9 | ↓ |