ZINC 12

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Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

13425278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(4-isopropylphenyl)thiazol-2-yl]-8-methoxy-2-phenylimino-chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(4-isopropylph…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.25	14.46	-30.63	1	6	0	77	523.658	7	↓ MOL2 SDF SMILES Flexibase

13425279

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[4-(2,4-dimethylphenyl)-5-ethyl-thiazol-2-yl]-8-methoxy-2-phenylimino-chromene-3-carboxamide (2Z)-N-[4-(2,4-dimethylphenyl)-5…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.60	13.86	-23.21	1	6	0	77	509.631	6	↓ MOL2 SDF SMILES Flexibase

13425280

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-8-methoxy-2-(p-tolylimino)chromene-3-carboxamide (2Z)-N-(5-ethyl-4-phenyl-thiazol…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.22	13.22	-31.03	1	6	0	77	495.604	6	↓ MOL2 SDF SMILES Flexibase

13425281

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(p-tolyl)thiazol-2-yl]-8-methoxy-2-(p-tolylimino)chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(p-tolyl)thiaz…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.67	13.9	-31.09	1	6	0	77	509.631	6	↓ MOL2 SDF SMILES Flexibase

13425282

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[4-(3,4-dimethylphenyl)-5-ethyl-thiazol-2-yl]-6-methoxy-2-(p-tolylimino)chromene-3-carboxamid (2Z)-N-[4-(3,4-dimethylphenyl)-5…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.07	13.87	-25.77	1	6	0	77	523.658	6	↓ MOL2 SDF SMILES Flexibase

13425283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[4-(3,4-dimethylphenyl)-5-ethyl-thiazol-2-yl]-8-methoxy-2-(p-tolylimino)chromene-3-carboxamid (2Z)-N-[4-(3,4-dimethylphenyl)-5…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.04	14.43	-31.57	1	6	0	77	523.658	6	↓ MOL2 SDF SMILES Flexibase

13425284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(4-ethylphenyl)thiazol-2-yl]-8-methoxy-2-(p-tolylimino)chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(4-ethylphenyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.13	14.66	-30.92	1	6	0	77	523.658	7	↓ MOL2 SDF SMILES Flexibase

13425285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-6-methoxy-2-(m-tolylimino)chromene-3-carboxamide (2Z)-N-(5-ethyl-4-phenyl-thiazol…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.22	12.66	-25.58	1	6	0	77	495.604	6	↓ MOL2 SDF SMILES Flexibase

13425286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-8-methoxy-2-(m-tolylimino)chromene-3-carboxamide (2Z)-N-(5-ethyl-4-phenyl-thiazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.20	13.22	-31.34	1	6	0	77	495.604	6	↓ MOL2 SDF SMILES Flexibase

13425287

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(p-tolyl)thiazol-2-yl]-6-methoxy-2-(m-tolylimino)chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(p-tolyl)thiaz…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.67	13.33	-25.59	1	6	0	77	509.631	6	↓ MOL2 SDF SMILES Flexibase

13425288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[4-(3,4-dimethylphenyl)-5-ethyl-thiazol-2-yl]-8-methoxy-2-(m-tolylimino)chromene-3-carboxamid (2Z)-N-[4-(3,4-dimethylphenyl)-5…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.02	14.41	-31.82	1	6	0	77	523.658	6	↓ MOL2 SDF SMILES Flexibase

13425289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(4-ethylphenyl)thiazol-2-yl]-8-methoxy-2-(m-tolylimino)chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(4-ethylphenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.10	14.65	-31.27	1	6	0	77	523.658	7	↓ MOL2 SDF SMILES Flexibase

13425290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[4-(2,4-dimethylphenyl)-5-ethyl-thiazol-2-yl]-8-methoxy-2-(m-tolylimino)chromene-3-carboxamid (2Z)-N-[4-(2,4-dimethylphenyl)-5…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.02	14.52	-23.54	1	6	0	77	523.658	6	↓ MOL2 SDF SMILES Flexibase

13425291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[4-(2,5-dimethylphenyl)-5-ethyl-thiazol-2-yl]-6-methoxy-2-(m-tolylimino)chromene-3-carboxamid (2Z)-N-[4-(2,5-dimethylphenyl)-5…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.04	13.95	-18.6	1	6	0	77	523.658	6	↓ MOL2 SDF SMILES Flexibase

13425292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[4-(2,5-dimethylphenyl)-5-ethyl-thiazol-2-yl]-8-methoxy-2-(m-tolylimino)chromene-3-carboxamid (2Z)-N-[4-(2,5-dimethylphenyl)-5…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.02	14.51	-23.61	1	6	0	77	523.658	6	↓ MOL2 SDF SMILES Flexibase

13425293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-6-methoxy-2-(4-methoxyphenyl)imino-chromene-3-carboxamide (2Z)-N-(5-ethyl-4-phenyl-thiazol…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.85	11.27	-24.95	1	7	0	86	511.603	7	↓ MOL2 SDF SMILES Flexibase

13425294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-8-methoxy-2-(4-methoxyphenyl)imino-chromene-3-carboxamide (2Z)-N-(5-ethyl-4-phenyl-thiazol…

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Activity (Go SEA)

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.83	11.82	-30.46	1	7	0	86	511.603	7	↓ MOL2 SDF SMILES Flexibase

13425295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(p-tolyl)thiazol-2-yl]-8-methoxy-2-(4-methoxyphenyl)imino-chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(p-tolyl)thiaz…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.28	12.51	-30.47	1	7	0	86	525.63	7	↓ MOL2 SDF SMILES Flexibase

13425296

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-6-methoxy-2-(3-methoxyphenyl)imino-chromene-3-carboxamide (2Z)-N-(5-ethyl-4-phenyl-thiazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.83	11.28	-26.72	1	7	0	86	511.603	7	↓ MOL2 SDF SMILES Flexibase

13425297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-8-methoxy-2-(3-methoxyphenyl)imino-chromene-3-carboxamide (2Z)-N-(5-ethyl-4-phenyl-thiazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.80	11.88	-33.73	1	7	0	86	511.603	7	↓ MOL2 SDF SMILES Flexibase

13425298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(p-tolyl)thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)imino-chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(p-tolyl)thiaz…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.28	11.94	-26.84	1	7	0	86	525.63	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 146410
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 = 146410 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=146410&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "146410"        

    });
</script>

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Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results