In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 13th, 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) | 4.83 | 10.4 | -60.12 | 1 | 8 | -1 | 112 | 515.567 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.83 | 9.09 | -24.75 | 2 | 8 | 0 | 109 | 516.575 | 7 | ↓ |