| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 21st, 2010 | 24 | Yes |
Popular Name: 1-(4-tert-butylphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea 1-(4-tert-butylphenyl)-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) | 3.34 | 6.67 | -41.51 | 3 | 5 | 1 | 49 | 333.5 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 4.29 | -9.39 | 2 | 5 | 0 | 48 | 332.492 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 6.56 | -43.88 | 3 | 5 | 1 | 49 | 333.5 | 6 | ↓ |
