| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 24 | No |
Popular Name: 1-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]-3-(4-nitrophenyl)urea 1-[3-(4-methylpiperazin-1-yl)-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) | 0.92 | 3.38 | -21.56 | 2 | 9 | 0 | 110 | 335.364 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 5.72 | -61.22 | 3 | 9 | 1 | 112 | 336.372 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
