| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 17 | 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) | 2.39 | 4.08 | -44.5 | 3 | 4 | 1 | 55 | 250.347 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.39 | 2.39 | -7 | 2 | 4 | 0 | 50 | 249.339 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.39 | 4.47 | -95.68 | 4 | 4 | 2 | 56 | 251.355 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
