In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 33 | 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) | 4.09 | 8.63 | -9.85 | 0 | 7 | 0 | 54 | 445.567 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.09 | 8.94 | -37.97 | 1 | 7 | 1 | 55 | 446.575 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.09 | 11.05 | -44.87 | 1 | 7 | 1 | 55 | 446.575 | 6 | ↓ |