| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 20 | Yes |
Popular Name: 3,4-bis(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione 3,4-bis(4-methylpiperazin-1-yl)c…
| 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) | -3.82 | 0.4 | -26.6 | 1 | 6 | 1 | 50 | 279.364 | 1 | ↓ |
| Mid Mid (pH 6-8) | -5.48 | -1.91 | -92.65 | 2 | 6 | 2 | 53 | 280.372 | 0 | ↓ |
| Mid Mid (pH 6-8) | -3.82 | 2.78 | -87.67 | 2 | 6 | 2 | 51 | 280.372 | 1 | ↓ |
| Mid Mid (pH 6-8) | -3.82 | 2.78 | -97.92 | 2 | 6 | 2 | 51 | 280.372 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -3.82 | 5.15 | -173.33 | 3 | 6 | 3 | 52 | 281.38 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -5.48 | 0.45 | -187.21 | 3 | 6 | 3 | 54 | 281.38 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
