| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 12 | No |
Popular Name: (6S)-2-oxo-4-(sulfanylmethyl)-5,6-dihydro-1H-pyrimidine-6-carboxylic (6S)-2-oxo-4-(sulfanylmethyl)-5,…
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| 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) | -1.99 | 0.95 | -89.03 | 2 | 5 | 0 | 81 | 187.2 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYR1-1-E | Dihydroorotase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 140 | 0.80 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYR1_HUMAN | P27708 | Dihydroorotase, Human | 140 | 0.80 | Binding ≤ 1μM |
| PYR1_HUMAN | P27708 | Dihydroorotase, Human | 140 | 0.80 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pyrimidine biosynthesis |
