| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2008 | 25 | Yes |
Popular Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione 3-(1,3-benzodioxol-5-ylmethylami…
| 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) | 3.54 | 8 | -13.29 | 1 | 5 | 0 | 65 | 335.359 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.18 | 7.15 | -34.97 | 0 | 5 | -1 | 71 | 334.351 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
