In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 28 | 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) | 4.34 | 7.54 | -12.12 | 0 | 5 | 0 | 52 | 442.309 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.34 | 10.4 | -50.97 | 1 | 5 | 1 | 53 | 443.317 | 3 | ↓ |