| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 24 | No |
Popular Name: 3-(4-methylpiperazin-1-yl)-4-[3-(4-methylpiperazin-1-yl)propylamino]cyclobut-3-ene-1,2-dione 3-(4-methylpiperazin-1-yl)-4-[3-…
| 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) | -1.45 | 0.21 | -55.5 | 1 | 7 | 0 | 61 | 336.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.45 | -2.2 | -7.83 | 0 | 7 | 0 | 59 | 335.452 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.45 | -2.16 | -6.6 | 0 | 7 | 0 | 59 | 335.452 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.45 | 2.52 | -143 | 2 | 7 | 0 | 62 | 337.468 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.45 | 0.16 | -61.96 | 1 | 7 | 0 | 61 | 336.46 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.45 | 2.57 | -123.13 | 2 | 7 | 0 | 62 | 337.468 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
