In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 37 | 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) | 7.25 | 16.36 | -12.2 | 1 | 4 | 0 | 47 | 487.647 | 7 | ↓ |
Lo Low (pH 4.5-6) | 7.25 | 17.04 | -34.06 | 2 | 4 | 1 | 48 | 488.655 | 7 | ↓ |