| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 19 | No |
Popular Name: 3-(4-chlorobenzylidene)chroman-4-one 3-(4-chlorobenzylidene)chroman-4…
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CAS Number: 62174-08-7
| 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) | 4.30 | 1.22 | -7.23 | 0 | 2 | 0 | 26 | 270.715 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB-4-E | Monoamine Oxidase B (cluster #4 Of 8), Eukaryotic | Eukaryotes | 154 | 0.50 | Binding ≤ 10μM |
| Z80874-3-O | CEM (T-cell Leukemia) (cluster #3 Of 7), Other | Other | 8240 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 154.23 | 0.50 | Binding ≤ 1μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 154.23 | 0.50 | Binding ≤ 10μM |
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 8240 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 |
No pre-computed analogs available. Try a structural similarity search.