| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2008 | 25 | Yes |
Popular Name: 3-(4-chlorophenyl)-4-[(4-isoxazol-5-ylphenyl)amino]cyclobut-3-ene-1,2-dione 3-(4-chlorophenyl)-4-[(4-isoxazo…
| 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) | 4.84 | 7.47 | -41.32 | 2 | 5 | 1 | 77 | 351.769 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.64 | 9.28 | -12.36 | 1 | 5 | 0 | 72 | 350.761 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
