| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2009 | 18 | No |
Popular Name: Propanamide, N-(5,8-dihydro-2-methyl-5,8-dioxo-7-quinolinyl)- Propanamide, N-(5,8-dihydro-2-me…
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CAS Number: 956281-00-8
| 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) | -0.04 | 4.7 | -19.55 | 1 | 5 | 0 | 76 | 244.25 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 1430 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 1430 | 0.45 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.