| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 22 | No |
Popular Name: 3-(2-cyclohexen-1-ylethylamino)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione 3-(2-cyclohexen-1-ylethylamino)-…
| 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) | 0.48 | 5.78 | -53.15 | 2 | 5 | 0 | 54 | 304.414 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | 3.69 | -7.56 | 1 | 5 | 0 | 53 | 303.406 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | 6.08 | -54.34 | 2 | 5 | 0 | 54 | 304.414 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | 3.39 | -8.18 | 1 | 5 | 0 | 53 | 303.406 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
