| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 19 | Yes |
Popular Name: 4-[(7-chloroquinolin-4-yl)amino]phenol 4-[(7-chloroquinolin-4-yl)amino]…
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CAS Number: 81099-86-7
| 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) | 4.34 | 5.34 | -32.32 | 3 | 3 | 1 | 46 | 271.727 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | 4.92 | -7.72 | 2 | 3 | 0 | 45 | 270.719 | 2 | ↓ |
| 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 | 2300 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 2300 | 0.42 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.