| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2011 | 32 | No |
Popular Name: (2E,6E)-2,6-bis[[4-(diethylamino)phenyl]methylene]-4-methyl-cyclohexanone (2E,6E)-2,6-bis[[4-(diethylamino…
| 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) | 6.92 | 17.07 | -38.75 | 1 | 3 | 0 | 25 | 431.644 | 8 | ↓ |
| Mid Mid (pH 6-8) | 6.92 | 16.98 | -7.56 | 0 | 3 | 0 | 24 | 430.636 | 8 | ↓ |
| Mid Mid (pH 6-8) | 6.92 | 17.31 | -113.41 | 2 | 3 | 0 | 26 | 432.652 | 8 | ↓ |
| Mid Mid (pH 6-8) | 6.92 | 17.25 | -38.53 | 1 | 3 | 0 | 25 | 431.644 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
