| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 17 | No |
Popular Name: 1-methyl-3-[[(E)-3-(5-nitro-2-furyl)prop-2-enylidene]amino]thiourea 1-methyl-3-[[(E)-3-(5-nitro-2-fu…
| 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) | 1.64 | 4.83 | -23.91 | 2 | 7 | 0 | 95 | 254.271 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50466-7-O | Trypanosoma Cruzi (cluster #7 Of 8), Other | Other | 4500 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50466 | Z50466 | Trypanosoma Cruzi | 4500 | 0.44 | Functional ≤ 10μM |
