| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 14 | Yes |
Popular Name: 3-(5-Fluoro-1h-indol-3-yl)propylamine 3-(5-Fluoro-1h-indol-3-yl)propyl…
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CAS Numbers: 1803598-21-1 , 245762-27-0
3-(5-fluoro-1H-indol-3-yl)propan-1-amine
| 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) | 0.76 | 4.21 | -45.86 | 4 | 2 | 1 | 43 | 193.245 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PERM-1-E | Myeloperoxidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 650 | 0.62 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PERM_HUMAN | P05164 | Myeloperoxidase, Human | 50 | 0.73 | Binding ≤ 1μM |
| PERM_HUMAN | P05164 | Myeloperoxidase, Human | 50 | 0.73 | Binding ≤ 10μM |
