| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 11 | Yes |
Popular Name: (1R,2R)-2-fluoro-2-phenyl-cyclopropan-1-amine (1R,2R)-2-fluoro-2-phenyl-cyclop…
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CAS Number: 713074-96-5
| 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) | 1.78 | 3.59 | -5.07 | 2 | 1 | 0 | 26 | 151.184 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB-1-E | Monoamine Oxidase B (cluster #1 Of 8), Eukaryotic | Eukaryotes | 3600 | 0.69 | Binding ≤ 10μM |
| O82865-1-B | Tyramine Oxidase (cluster #1 Of 1), Bacterial | Bacteria | 3600 | 0.69 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 190 | 0.86 | Binding ≤ 1μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 190 | 0.86 | Binding ≤ 10μM |
| O82865_MICLU | O82865 | Tyramine Oxidase, Miclu | 3600 | 0.69 | Binding ≤ 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.