In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | 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) | 6.47 | 11.2 | -14.17 | 0 | 5 | 0 | 52 | 496.39 | 5 | ↓ |
Lo Low (pH 4.5-6) | 6.47 | 14.06 | -58.36 | 1 | 5 | 1 | 53 | 497.398 | 5 | ↓ |