| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 8th, 2009 | 16 | No |
Popular Name: 3-[3-(dimethylamino)acryloyl]-4-hydroxy-6-methyl-2H-pyran-2-one 3-[3-(dimethylamino)acryloyl]-4-…
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CAS Number: 181757-28-8
3-[(2E)-3-(dimethylamino)prop-2-enoyl]-4-hydroxy-6-methyl-2H-pyran-2-one
3-[(2E)-3-(dimethylamino)prop-2-enoyl]-6-methyl-2H-pyran-2,4(3H)-dione
| 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) | 0.30 | 5.82 | -47.79 | 0 | 5 | -1 | 74 | 222.22 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.50 | 6.09 | -51.61 | 0 | 5 | -1 | 74 | 222.22 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.30 | 4.8 | -25.63 | 1 | 5 | 0 | 71 | 223.228 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.