| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 21 | No |
Popular Name: N'-[[(3,4-dichlorophenyl)-(p-tolyl)methylene]amino]-1-sulfanyl-formamidine N'-[[(3,4-dichlorophenyl)-(p-tol…
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| 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) | 4.79 | 9.52 | -17.97 | 3 | 3 | 0 | 52 | 338.263 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CYSP-2-E | Cruzipain (cluster #2 Of 4), Eukaryotic | Eukaryotes | 40 | 0.49 | Binding ≤ 10μM |
| Q95PM0-2-E | Rhodesain (cluster #2 Of 3), Eukaryotic | Eukaryotes | 38 | 0.49 | Binding ≤ 10μM |
| Q9N6S8-2-E | Falcipain 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1800 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CYSP_TRYCR | P25779 | Cruzipain, Trycr | 40 | 0.49 | Binding ≤ 1μM |
| Q95PM0_TRYBR | Q95PM0 | Rhodesain, Trybr | 38 | 0.49 | Binding ≤ 1μM |
| CYSP_TRYCR | P25779 | Cruzipain, Trycr | 40 | 0.49 | Binding ≤ 10μM |
| Q9N6S8_PLAFA | Q9N6S8 | Falcipain 2, Plafa | 1800 | 0.38 | Binding ≤ 10μM |
| Q95PM0_TRYBR | Q95PM0 | Rhodesain, Trybr | 38 | 0.49 | Binding ≤ 10μM |
