| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2011 | 14 | Yes |
Popular Name: 3H-PYRROLO[2,3-C]QUINOLINE,4-METHYL- 3H-PYRROLO[2,3-C]QUINOLINE,4-MET…
Find On: PubMed — Wikipedia — Google
CAS Number: 920317-36-8
| 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) | 2.81 | 5.92 | -27 | 2 | 2 | 1 | 30 | 183.234 | 0 | ↓ |
| Mid Mid (pH 6-8) | 2.81 | 5.53 | -10.38 | 1 | 2 | 0 | 29 | 182.226 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426-9-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #9 Of 9), Other | Other | 9800 | 0.50 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 9800 | 0.50 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.