In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 30 | 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) | 4.45 | 10.38 | -9.33 | 1 | 4 | 0 | 45 | 425.573 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.45 | 12.2 | -55.66 | 2 | 4 | 1 | 46 | 426.581 | 9 | ↓ |