| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2009 | 26 | Yes |
Popular Name: 2-([1,1'-Biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid 2-([1,1'-Biphenyl]-4-yl)-3-methy…
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CAS Number: 130507-59-4
| 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) | 5.81 | 11.89 | -56.94 | 0 | 3 | -1 | 53 | 338.386 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.81 | 12.26 | -51.91 | 1 | 3 | 0 | 54 | 339.394 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYRD-1-E | Dihydroorotate Dehydrogenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYRD_HUMAN | Q02127 | Dihydroorotate Dehydrogenase, Human | 1.7 | 0.47 | Binding ≤ 1μM |
| PYRD_HUMAN | Q02127 | Dihydroorotate Dehydrogenase, Human | 1.7 | 0.47 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pyrimidine biosynthesis |
