| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 25 | No |
Popular Name: (3S,4R)-3-(3-chloro-4-hydroxy-anilino)-4-(2-nitrophenyl)pyrrolidine-2,5-dione (3S,4R)-3-(3-chloro-4-hydroxy-an…
None
| 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) | 2.82 | 0.48 | -44.62 | 2 | 8 | -1 | 131 | 360.733 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 3.03 | -12.52 | 3 | 8 | 0 | 124 | 361.741 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 2.98 | -12.2 | 3 | 8 | 0 | 124 | 361.741 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 2.81 | -15.68 | 3 | 8 | 0 | 124 | 361.741 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 2.94 | -14.96 | 3 | 8 | 0 | 124 | 361.741 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 10000 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.28 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
