In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | 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) | 4.45 | 7.62 | -18.9 | 0 | 6 | 0 | 77 | 467.587 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.45 | 10.39 | -69.26 | 1 | 6 | 1 | 78 | 468.595 | 3 | ↓ |