| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 22 | Yes |
Popular Name: 1-(2,3-dimethylphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea 1-(2,3-dimethylphenyl)-3-[3-(4-m…
| 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) | 2.44 | 5.78 | -42.12 | 3 | 5 | 1 | 49 | 305.446 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 3.41 | -9.72 | 2 | 5 | 0 | 48 | 304.438 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 5.68 | -44.55 | 3 | 5 | 1 | 49 | 305.446 | 5 | ↓ |
