| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2012 | 9 | Yes |
Popular Name: 1-(4-Methyl-1h-pyrrol-3-yl)ethanone 1-(4-Methyl-1h-pyrrol-3-yl)ethanone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 18818-30-9 , 740028-85-7
| 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) | 0.59 | 1.68 | -6.43 | 0 | 2 | 0 | 29 | 123.155 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.59 | 2.73 | -39.92 | 1 | 2 | 1 | 31 | 124.163 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0354728A2; US5006652; US5094849 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.