| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 27 | Yes |
Popular Name: 2-BUTANONE,4-(5-METHOXY-1H-INDOL-3-YL)- 2-BUTANONE,4-(5-METHOXY-1H-INDOL…
Find On: PubMed — Wikipedia — Google
CAS Number: 14073-22-4
| 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) | 4.98 | 10.71 | -9.75 | 1 | 4 | 0 | 47 | 362.473 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.98 | 11.15 | -24.56 | 2 | 4 | 1 | 48 | 363.481 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SOAT1-1-E | Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1300 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 15 | 0.41 | Binding ≤ 1μM |
| SOAT1_HUMAN | P35610 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Human | 1300 | 0.31 | Binding ≤ 10μM |
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 15 | 0.41 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.