| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2004 | 20 | Yes |
Popular Name: 5-chloro-1-(4-chlorobenzyl)-1H-indole-2,3-dione 5-chloro-1-(4-chlorobenzyl)-1H-i…
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CAS Number: 87423-59-4
| 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) | 3.83 | 1.08 | -11.68 | 0 | 3 | 0 | 39 | 306.148 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 190 - 192 | KeyOrganics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CYSP-1-E | Cruzipain (cluster #1 Of 4), Eukaryotic | Eukaryotes | 6000 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CYSP_TRYCR | P25779 | Cruzipain, Trycr | 6000 | 0.37 | Binding ≤ 10μM |
