In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 35 | 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) | 4.58 | 10.94 | -12.37 | 1 | 7 | 0 | 80 | 489.597 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.11 | 11.9 | -38.02 | 2 | 7 | 1 | 80 | 490.605 | 9 | ↓ |