| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 12 | Yes |
Popular Name: (5-fluoro-1h-indol-3-yl)methanamine (5-fluoro-1h-indol-3-yl)methanamine
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CAS Number: 113188-82-2
| 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) | 0.44 | 2.6 | -47.56 | 4 | 2 | 1 | 43 | 165.191 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PERM-1-E | Myeloperoxidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 900 | 0.71 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PERM_HUMAN | P05164 | Myeloperoxidase, Human | 900 | 0.71 | Binding ≤ 1μM |
| PERM_HUMAN | P05164 | Myeloperoxidase, Human | 900 | 0.71 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.