In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 32 | 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) | 4.10 | 9.42 | -26.82 | 1 | 7 | 0 | 78 | 488.038 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.92 | 8.49 | -45.97 | 0 | 7 | -1 | 85 | 487.03 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.10 | 11.78 | -65.68 | 2 | 7 | 1 | 80 | 489.046 | 7 | ↓ |