| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 14th, 2010 | 23 | No |
Popular Name: (2E,4R)-4-benzoyl-2-[[[(1S)-1-(hydroxymethyl)propyl]amino]methylene]cyclohexane-1,3-dione (2E,4R)-4-benzoyl-2-[[[(1S)-1-(h…
| 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) | 1.62 | 4.24 | -22.1 | 1 | 5 | 0 | 90 | 314.361 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 3.55 | -13.56 | 1 | 5 | 0 | 90 | 314.361 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.62 | 3.51 | -15.25 | 2 | 5 | 0 | 87 | 315.369 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
