In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 31 | No |
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) | 2.97 | 8.47 | -14.05 | 0 | 8 | 0 | 101 | 415.405 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.97 | 8.94 | -44.96 | 1 | 8 | 1 | 103 | 416.413 | 4 | ↓ |