In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 33 | No |
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 | 12.96 | -74.67 | 1 | 6 | 0 | 74 | 470.997 | 11 | ↓ |
Lo Low (pH 4.5-6) | 4.49 | 11.67 | -54.14 | 2 | 6 | 1 | 71 | 472.005 | 11 | ↓ |