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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: 1H-indole-3-carbaldehyde N-(4-methylphenyl)thiosemicarbazone 1H-indole-3-carbaldehyde N-(4-me…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-4-O Entamoeba Histolytica (cluster #4 Of 5), Other Other 3250 0.35 Functional ≤ 10μM

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) 3.92 9.58 -11.64 3 4 0 52 308.41 5 ↓

Analogs

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Popular Name: 1-(1H-indol-3-ylmethyleneamino)-3-(m-tolyl)thiourea 1-(1H-indol-3-ylmethyleneamino)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-4-O Entamoeba Histolytica (cluster #4 Of 5), Other Other 1290 0.37 Functional ≤ 10μM

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) 3.89 9.57 -11.77 3 4 0 52 308.41 5 ↓