In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 24th, 2009 | 28 | 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) | 1.83 | 7.81 | -52.25 | 1 | 8 | -1 | 115 | 380.38 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.83 | 6.67 | -26.91 | 2 | 8 | 0 | 113 | 381.388 | 4 | ↓ |