| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 20 | 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) | 1.49 | 6.03 | -26.94 | 4 | 4 | 1 | 68 | 289.79 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 6.46 | -5.8 | 3 | 4 | 0 | 66 | 288.782 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.49 | 6.5 | -92.66 | 5 | 4 | 2 | 69 | 290.798 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
