In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 39 | Yes |
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) | 6.41 | 13.61 | -48.9 | 1 | 8 | -1 | 108 | 521.645 | 9 | ↓ |
Lo Low (pH 4.5-6) | 6.41 | 13.63 | -14.92 | 2 | 8 | 0 | 110 | 522.653 | 9 | ↓ |