| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 21 | Yes |
Popular Name: 3-(benzylamino)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione 3-(benzylamino)-4-(4-methylpiper…
| 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) | -1.93 | 0.52 | -29.71 | 2 | 5 | 1 | 59 | 286.355 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 2.25 | -6.91 | 1 | 5 | 0 | 56 | 285.347 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.93 | 1.29 | -13.06 | 1 | 5 | 0 | 62 | 285.347 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.93 | 2.89 | -96.16 | 3 | 5 | 2 | 60 | 287.363 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
