UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39132641
39132641

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Popular Name: Imidazole-4-methanol Imidazole-4-methanol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-12-O Plasmodium Falciparum (cluster #12 Of 22), Other Other 10000 1.00 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) -0.50 -0.59 -9.56 2 3 0 49 98.105 1 ↓
Ref Reference (pH 7) -0.50 -0.56 -7.69 2 3 0 49 98.105 1 ↓
Mid Mid (pH 6-8) -0.50 -0.1 -32.86 3 3 1 50 99.113 1 ↓

Analogs

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Popular Name: 4-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole 4-[3-[bis(4-fluorophenyl)methoxy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH3-2-E Histamine H3 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 25 0.44 Functional ≤ 10μM
Z50425-12-O Plasmodium Falciparum (cluster #12 Of 22), Other Other 631 0.36 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) 4.10 11.81 -39.11 2 3 1 39 329.37 7 ↓
Mid Mid (pH 6-8) 4.10 11.34 -11.05 1 3 0 38 328.362 7 ↓

Analogs

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Popular Name: Thioperamide Thioperamide

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADA2A-1-E Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 126 0.48 Binding ≤ 10μM
ADA2C-1-E Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 347 0.45 Binding ≤ 10μM
HRH1-1-E Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 10000 0.35 Binding ≤ 10μM
HRH2-2-E Histamine H2 Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 10000 0.35 Binding ≤ 10μM
HRH3-1-E Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 72 0.50 Binding ≤ 10μM
HRH4-2-E Histamine H4 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 63 0.50 Binding ≤ 10μM
HRH3-2-E Histamine H3 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 4 0.59 Functional ≤ 10μM
HRH4-2-E Histamine H4 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 680 0.43 Functional ≤ 10μM
CP3A4-2-E Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic Eukaryotes 6095 0.37 ADME/T ≤ 10μM
Z50425-12-O Plasmodium Falciparum (cluster #12 Of 22), Other Other 10000 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) 2.66 9.81 -47.23 3 4 1 45 293.46 4 ↓
Ref Reference (pH 7) 2.66 9.82 -46.74 3 4 1 45 293.46 4 ↓
Mid Mid (pH 6-8) 2.66 9.19 -13.36 2 4 0 44 292.452 4 ↓

Analogs

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Popular Name: 2-(2-naphthyl)-1H-imidazole 2-(2-naphthyl)-1H-imidazole

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-12-O Plasmodium Falciparum (cluster #12 Of 22), Other Other 7943 0.48 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) 3.23 7.3 -9.04 1 2 0 29 194.237 1 ↓
Mid Mid (pH 6-8) 3.23 7.77 -32.1 2 2 1 30 195.245 1 ↓

Analogs

36876333
36876333

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Popular Name: 1H-Imidazole-4-ethanamine, 2-(1-methylethyl)- (9CI) 1H-Imidazole-4-ethanamine, 2-(1-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-12-O Plasmodium Falciparum (cluster #12 Of 22), Other Other 4800 0.68 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) 0.29 1.82 -43.91 4 3 1 56 154.237 3 ↓
Lo Low (pH 4.5-6) 0.29 2.2 -96.91 5 3 2 58 155.245 3 ↓

Analogs

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Popular Name: 2,2'-BIPYRIDINE 2,2'-BIPYRIDINE

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-12-O Plasmodium Falciparum (cluster #12 Of 22), Other Other 10000 0.58 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) 1.44 4.87 -7.26 0 2 0 26 156.188 1 ↓

Analogs

34222923
34222923
39644586
39644586

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Popular Name: O-Benzylhydroxylamine hydrochloride O-Benzylhydroxylamine hydrochloride

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-12-O Plasmodium Falciparum (cluster #12 Of 22), Other Other 0 0.00 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) 1.28 2.56 -4 2 2 0 35 123.155 2 ↓

Analogs

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Popular Name: Clopidol Clopidol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-12-O Plasmodium Falciparum (cluster #12 Of 22), Other Other 9730 0.64 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) 2.06 4.17 -16.61 1 2 0 33 192.045 0 ↓
Hi High (pH 8-9.5) 2.52 2.83 -36.68 0 2 -1 36 191.037 0 ↓
Mid Mid (pH 6-8) 1.59 4.04 -5.16 0 2 0 29 192.045 0 ↓

Analogs

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Popular Name: 2-(1-Isopropyl-1H-imidazol-4-yl)ethanamine 2-(1-Isopropyl-1H-imidazol-4-yl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-12-O Plasmodium Falciparum (cluster #12 Of 22), Other Other 9600 0.64 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) -0.04 3.79 -43.08 3 3 1 45 154.237 3 ↓
Lo Low (pH 4.5-6) -0.04 4.25 -97.6 4 3 2 47 155.245 3 ↓

Analogs

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Popular Name: O-(4-Nitrobenzyl)hydroxylamine hydrochloride O-(4-Nitrobenzyl)hydroxylamine h…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-12-O Plasmodium Falciparum (cluster #12 Of 22), Other Other 0 0.00 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) 1.24 3.23 -7.4 2 5 0 81 168.152 3 ↓

Parameters Provided:

target.name = Z50425-12-O
target.type = F10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'Z50425-12-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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