In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 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) | 2.87 | 7.38 | -67.97 | 1 | 9 | -1 | 118 | 516.526 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.87 | 6.63 | -20.8 | 2 | 9 | 0 | 115 | 517.534 | 10 | ↓ |