| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 22 | No |
Popular Name: 3-(4-methylpiperazin-1-yl)-4-[2-(5-methylpyrazol-1-yl)ethylamino]cyclobut-3-ene-1,2-dione 3-(4-methylpiperazin-1-yl)-4-[2-…
| 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) | -1.35 | 0.22 | -8.95 | 0 | 7 | 0 | 71 | 303.366 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.35 | 2.57 | -47.43 | 1 | 7 | 0 | 72 | 304.374 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.35 | 0.16 | -10.3 | 0 | 7 | 0 | 71 | 303.366 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.35 | 2.52 | -53.3 | 1 | 7 | 0 | 72 | 304.374 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
