| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 16 | No |
Popular Name: 7H-1,3-Dioxolo[4,5-f]indol-7-one, 6-ethyl-, 5-oxide (9CI) 7H-1,3-Dioxolo[4,5-f]indol-7-one…
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CAS Number: 351325-41-2
| 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) | 0.41 | 3.95 | -11.89 | 0 | 5 | 0 | 61 | 219.196 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50136-1-O | Plasmodium Falciparum (isolate FcB1 / Columbia) (cluster #1 Of 3), Other | Other | 3560 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50136 | Z50136 | Plasmodium Falciparum (isolate FcB1 / Columbia) | 3560 | 0.48 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.