| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 22 | 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) | 1.92 | 7.33 | -48.48 | 3 | 5 | 1 | 66 | 299.398 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 6.89 | -11.49 | 2 | 5 | 0 | 64 | 298.39 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 7.7 | -87.54 | 4 | 5 | 2 | 67 | 300.406 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
