| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 23 | No |
Popular Name: Benzoic acid, 4-nitro-2-[[3-(trifluoromethyl)phenyl]amino]- Benzoic acid, 4-nitro-2-[[3-(tri…
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CAS Number: 767576-60-3
| 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) | 4.78 | 8.22 | -40.18 | 1 | 6 | -1 | 98 | 325.222 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PERM-2-E | Myeloperoxidase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5000 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PERM_HUMAN | P05164 | Myeloperoxidase, Human | 5000 | 0.32 | Binding ≤ 10μM |
