In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2010 | 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) | 4.85 | 13.42 | -75.42 | 1 | 8 | 0 | 96 | 512.647 | 15 | ↓ |
Lo Low (pH 4.5-6) | 4.85 | 12.53 | -47.16 | 2 | 8 | 1 | 94 | 513.655 | 15 | ↓ |