| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 24 | No |
Popular Name: 1-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluoro-phenyl]-3-methyl-urea 1-[2-chloro-5-(1,3-dioxo-4,5,6,7…
| 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) | 2.80 | 5.82 | -15 | 2 | 6 | 0 | 80 | 351.765 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPOX-1-B | Protoporphyrinogen Oxidase (cluster #1 Of 1), Bacterial | Bacteria | 372 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPOX_BACSU | P32397 | Protoporphyrinogen Oxidase, Bacsu | 371.535229 | 0.38 | Binding ≤ 1μM |
| PPOX_BACSU | P32397 | Protoporphyrinogen Oxidase, Bacsu | 371.535229 | 0.38 | Binding ≤ 10μM |
