| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 24th, 2006 | 25 | No |
Popular Name: 5-phenyl-2-[1-(4-toluidino)propylidene]cyclohexane-1,3-dione 5-phenyl-2-[1-(4-toluidino)propy…
| 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) | 5.04 | 11.53 | -40.65 | 0 | 3 | -1 | 52 | 332.423 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.50 | 10.96 | -42.26 | 2 | 3 | 1 | 49 | 334.439 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.04 | 9.52 | -10.16 | 1 | 3 | 0 | 50 | 333.431 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.50 | 11.8 | -8.83 | 1 | 3 | 0 | 46 | 333.431 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.04 | 9.53 | -11.44 | 1 | 3 | 0 | 50 | 333.431 | 4 | ↓ |
