| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 21 | Yes |
Popular Name: N7-[(3,4-dichlorophenyl)methyl]isoquinoline-1,7-diamine N7-[(3,4-dichlorophenyl)methyl]i…
None
| 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) | 4.17 | 7.88 | -31.21 | 4 | 3 | 1 | 52 | 319.215 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.17 | 7.41 | -8.48 | 3 | 3 | 0 | 51 | 318.207 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 455 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 111 | 0.46 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
