UCSF

ZINC01851700

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 31 Yes

Popular Name: 1,3-Di(4-imidazolino-2-methoxyphenoxy)propane lactate; 1H-Imidazole, 2,2'-(1,3-propanediylbis(oxy(3-methoxy-4,1-phenylene)))bis(4,5-dihydro-, lactate; LS-121504; Propanoic acid, 2-hydroxy-, compd. with 2,2'-(1,3-propanediylbis(oxy(3-methoxy-4,1-phenylene) 1,3-Di(4-imidazolino-2-methoxyph…

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Physical Representations

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) 0.86 -5.26 -75.94 4 8 2 88 426.517 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50426-1-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #1 Of 9), Other Other 55 0.33 Functional ≤ 10μM
Z50725-1-O Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other Other 90 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50426 Z50426 Plasmodium Falciparum (isolate K1 / Thailand) 55 0.33 Functional ≤ 10μM
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 90 0.32 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.