| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2005 | 25 | Yes |
Popular Name: 2-(2-chloro-9H-xanthen-9-yl)-5,5-dimethyl-cyclohexane-1,3-dione 2-(2-chloro-9H-xanthen-9-yl)-5,5…
| 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) | 4.32 | 10.78 | -13.68 | 0 | 3 | 0 | 43 | 354.833 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.90 | 10.85 | -41.83 | 0 | 3 | -1 | 49 | 353.825 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
