| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2006 | 16 | Yes |
Popular Name: 4-hydroxy-3-propionyl-2H-chromen-2-one 4-hydroxy-3-propionyl-2H-chromen…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4139-73-5 , [4139-73-5]
| 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) | 2.05 | 6.66 | -47.02 | 0 | 4 | -1 | 70 | 217.2 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.05 | 5.42 | -12.2 | 1 | 4 | 0 | 68 | 218.208 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
