| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 23 | No |
Popular Name: 3-[3-Acetyl-4-hydroxy-2-(4-methoxy-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid 3-[3-Acetyl-4-hydroxy-2-(4-metho…
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CAS Numbers: 370584-35-3 , [370584-35-3]
3-[3-Acetyl-4-hydroxy-2-(4-methoxy-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionicacid
| 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) | 0.35 | 4.85 | -96.19 | 0 | 7 | -2 | 110 | 317.297 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | 5.27 | -60.54 | 0 | 7 | -1 | 104 | 318.305 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.35 | 4.02 | -52.41 | 1 | 7 | -1 | 107 | 318.305 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
