| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 4th, 2011 | 17 | Yes |
None
| 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) | 1.05 | 2.52 | -34.8 | 4 | 4 | 1 | 66 | 230.291 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 1.4 | -8.03 | 3 | 4 | 0 | 61 | 229.283 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 1.38 | -6.62 | 3 | 4 | 0 | 61 | 229.283 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 2.51 | -40.16 | 4 | 4 | 1 | 66 | 230.291 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
