| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 28 | No |
Popular Name: 3-(3,4-dimethylphenyl)-4-[2-(4-methylpiperazin-1-yl)anilino]cyclobut-3-ene-1,2-dione 3-(3,4-dimethylphenyl)-4-[2-(4-m…
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) | 2.98 | 11.55 | -59.5 | 1 | 5 | 0 | 54 | 376.48 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.98 | 9.2 | -7.76 | 0 | 5 | 0 | 53 | 375.472 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
