| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2010 | 23 | Yes |
Popular Name: 1-(4-acetylphenyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea 1-(4-acetylphenyl)-3-[3-[methyl(…
| 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) | 2.57 | 6.4 | -53.73 | 3 | 5 | 1 | 63 | 332.346 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.57 | 4.22 | -13.25 | 2 | 5 | 0 | 61 | 331.338 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.20 | 4.08 | -59.04 | 3 | 5 | 1 | 66 | 332.346 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.20 | 5.19 | -116.85 | 4 | 5 | 2 | 68 | 333.354 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.20 | 2.96 | -45.14 | 3 | 5 | 1 | 67 | 332.346 | 9 | ↓ |
