| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2008 | 22 | No |
Popular Name: 3-chloro-1-(3-chlorophenyl)-4-(4-methyl-1-piperazinyl)-1H-pyrrole-2,5-dione 3-chloro-1-(3-chlorophenyl)-4-(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) | 2.45 | 6.07 | -5.28 | 0 | 5 | 0 | 46 | 340.21 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| B2LA1-1-E | Bcl-2-related Protein A1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2100 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| B2LA1_HUMAN | Q16548 | Bcl-2-related Protein A1, Human | 1200 | 0.38 | Binding ≤ 10μM |
