| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 15 | No |
Popular Name: [(E)-[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyleneamino]thiourea [(E)-[(1S,5R)-7,7-dimethyl-4-bic…
| 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) | 2.38 | 5.98 | -9.38 | 3 | 3 | 0 | 50 | 223.345 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-4-O | Plasmodium Falciparum (cluster #4 Of 22), Other | Other | 7200 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 7200 | 0.48 | Functional ≤ 10μM |
