| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | No |
Popular Name: DNC003521 DNC003521
(2E)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}hydrazinecarbothioamide
| 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) | 3.38 | 6.6 | -20.33 | 3 | 4 | 0 | 65 | 324.203 | 3 | ↓ |
| Ref Reference (pH 7) | 3.87 | 6.82 | -13.57 | 3 | 4 | 0 | 64 | 324.203 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CYSP-2-E | Cruzipain (cluster #2 Of 4), Eukaryotic | Eukaryotes | 280 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CYSP_TRYCR | P25779 | Cruzipain, Trycr | 280 | 0.51 | Binding ≤ 1μM |
| CYSP_TRYCR | P25779 | Cruzipain, Trycr | 280 | 0.51 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.