| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 14 | Yes |
Popular Name: 4-Iodo-N-isopropylamphetamine hydrochloride 4-Iodo-N-isopropylamphetamine hy…
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CAS Numbers: 116316-03-1 , 85068-76-4 , 95896-48-3
FDA); N-Isopropyl-p-Iodoamphetamine (123I) HCl (JAN)
Iofetamine (123I) (INN); Iofetamine Hydrochloride (123I) (USAN
Iofetamine Hydrochloride (123I) (FDA
Iofetamine hydrochloride I-123
USAN); Iofetamine (123I) (INN); N-Isopropyl-p-Iodoamphetamine (123I) HCl (JAN)
| 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) | 3.99 | 8.19 | -35.96 | 2 | 1 | 1 | 17 | 304.195 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 5012 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.50 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.