| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2011 | 24 | 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) | -1.52 | -0.89 | -99.51 | 3 | 9 | 0 | 126 | 337.38 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.52 | -1.18 | -60.48 | 2 | 9 | -1 | 125 | 336.372 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -1.52 | -1.61 | -77.41 | 4 | 9 | 1 | 123 | 338.388 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
