In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 22nd, 2008 | 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) | 4.56 | 14.72 | -125.5 | 2 | 8 | -2 | 138 | 516.679 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.56 | 12.67 | -69.82 | 3 | 8 | -1 | 136 | 517.687 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.56 | 10.7 | -21.86 | 4 | 8 | 0 | 133 | 518.695 | 8 | ↓ |