In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2010 | 20 | Yes |
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) | 4.40 | 7.94 | -6.5 | 3 | 3 | 0 | 55 | 283.762 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.40 | 8.14 | -28.13 | 4 | 3 | 1 | 56 | 284.77 | 2 | ↓ |