In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 37 | Yes |
None
None
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) | 5.84 | 12.93 | -19.44 | 0 | 7 | 0 | 82 | 515.949 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.84 | 15.78 | -58.87 | 1 | 7 | 1 | 83 | 516.957 | 5 | ↓ |