In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 31 | 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) | 6.21 | 11.3 | -10.72 | 0 | 4 | 0 | 43 | 496.788 | 3 | ↓ |
Lo Low (pH 4.5-6) | 6.21 | 14.05 | -49.87 | 1 | 4 | 1 | 44 | 497.796 | 3 | ↓ |