| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 19 | No |
Popular Name: [(E)-5-(3,4-dichlorophenyl)-3-keto-pent-4-enyl]-diethyl-ammonium [(E)-5-(3,4-dichlorophenyl)-3-ke…
| 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) | 4.17 | 2.76 | -37.9 | 1 | 2 | 1 | 21 | 301.237 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587-3-O | Homo Sapiens (cluster #3 Of 9), Other | Other | 3800 | 0.40 | Functional ≤ 10μM |
| Z80362-7-O | P388 (Lymphoma Cells) (cluster #7 Of 8), Other | Other | 390 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587 | Z50587 | Homo Sapiens | 3800 | 0.40 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 390 | 0.47 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.