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

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Popular Name: N,3-diethyl-4-(4-methylsulfonylphenyl)thiazol-2-imine N,3-diethyl-4-(4-methylsulfonylp…

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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) 3.14 5.25 -12.6 0 4 0 51 310.444 4 ↓

Analogs

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Popular Name: N-[3-fluoro-4-[(2Z)-3-methyl-2-methylimino-thiazol-4-yl]phenyl]acetamide N-[3-fluoro-4-[(2Z)-3-methyl-2-m…

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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) 2.83 4.77 -12.8 1 4 0 46 279.34 2 ↓

Analogs

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Popular Name: N,3-dimethyl-4-(4-methylsulfonylphenyl)thiazol-2-imine N,3-dimethyl-4-(4-methylsulfonyl…

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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) 2.39 3.41 -13.09 0 4 0 51 282.39 2 ↓

Analogs

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Popular Name: N-[4-[(2Z)-3-methyl-2-methylimino-thiazol-4-yl]phenyl]methanesulfonamide N-[4-[(2Z)-3-methyl-2-methylimin…

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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) 2.75 2.48 -13.34 1 5 0 63 297.405 3 ↓
Hi High (pH 8-9.5) 2.75 2.55 -36.64 0 5 -1 66 296.397 3 ↓

Analogs

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Popular Name: 4-(3-methoxyphenyl)-N-[(E)-1-methylhexylideneamino]thiazol-2-amine 4-(3-methoxyphenyl)-N-[(E)-1-met…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFA-4-E Monoamine Oxidase A (cluster #4 Of 8), Eukaryotic Eukaryotes 1150 0.38 Binding ≤ 10μM
AOFB-4-E Monoamine Oxidase B (cluster #4 Of 8), Eukaryotic Eukaryotes 6720 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFA_HUMAN P21397 Monoamine Oxidase A, Human 1150 0.38 Binding ≤ 10μM
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 6720 0.33 Binding ≤ 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) 6.22 9.95 -8.77 1 4 0 50 317.458 7 ↓
Lo Low (pH 4.5-6) 5.29 10.11 -26.13 2 4 1 48 318.466 8 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-(3-nitrophenyl)thiazol-2-yl]carbamothioyl]propanamide 2-methyl-N-[[4-(3-nitrophenyl)th…

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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) 4.02 9.04 -24.64 2 7 0 103 350.425 5 ↓

Analogs

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Popular Name: N-[[4-(3-nitrophenyl)thiazol-2-yl]carbamothioyl]acetamide N-[[4-(3-nitrophenyl)thiazol-2-y…

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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) 2.94 7.1 -22.22 2 7 0 103 322.371 4 ↓

Analogs

40148056
40148056
40148059
40148059

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Popular Name: 4-(4-chlorophenyl)-N-(1-methylpropylideneamino)-3H-thiazol-2-imine 4-(4-chlorophenyl)-N-(1-methylpr…

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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) 5.29 8.76 -8.34 1 3 0 41 279.796 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 4.79 6.12 -13.5 1 7 0 82 391.493 8 ↓

Analogs

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Popular Name: 2-[[4-(4-aminophenyl)thiazol-2-yl]sulfamoyl]acetic 2-[[4-(4-aminophenyl)thiazol-2-y…

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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) 1.15 2.25 -57.7 3 7 -1 128 312.352 4 ↓
Hi High (pH 8-9.5) 0.22 2.01 -111.25 2 7 -2 127 311.344 5 ↓

Analogs

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Popular Name: 2-[[4-(3-amino-4-hydroxy-phenyl)thiazol-2-yl]sulfamoyl]acetic 2-[[4-(3-amino-4-hydroxy-phenyl)…

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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) 1.26 -0.47 -57.97 4 8 -1 149 328.351 4 ↓
Hi High (pH 8-9.5) 0.34 -0.73 -109.55 3 8 -2 148 327.343 5 ↓

Parameters Provided:

ring.id = 1431
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 1431 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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