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) | 3.70 | 8.83 | -12.55 | 0 | 6 | 0 | 57 | 418.493 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.70 | 11.67 | -55.61 | 1 | 6 | 1 | 58 | 419.501 | 5 | ↓ |