| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 6th, 2006 | 20 | Yes |
Popular Name: N-benzo[1,3]dioxol-5-yl-4-methyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraen-2-amine N-benzo[1,3]dioxol-5-yl-4-methyl…
| 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) | 2.29 | -0.5 | -12.85 | 1 | 7 | 0 | 73 | 269.264 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q54A96-1-E | Dihydroorotate Dehydrogenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1600 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q54A96_PLAFA | Q54A96 | Dihydroorotate Dehydrogenase, Plafa | 1600 | 0.41 | Binding ≤ 10μM |
