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) | 4.49 | 10.06 | -12.12 | 0 | 5 | 0 | 56 | 432.907 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.49 | 12.91 | -46.93 | 1 | 5 | 1 | 57 | 433.915 | 4 | ↓ |