ZINC 12

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Quick Search ZINC ID or SMILES

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Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

36135166

Analogs

37800214
37800215
37800216
37800217
37805865

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-benzyl-N-cyclopropyl-pyrrolidine-2-carboxamide (2S)-N-benzyl-N-cyclopropyl-pyrr…

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)	1.60	6.74	-36.63	2	3	1	37	245.346	4	↓ MOL2 SDF SMILES Flexibase

36135167

Analogs

37800214
37800215
37800216
37800217
37805865

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-benzyl-N-cyclopropyl-pyrrolidine-2-carboxamide (2R)-N-benzyl-N-cyclopropyl-pyrr…

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)	1.60	6.86	-36.05	2	3	1	37	245.346	4	↓ MOL2 SDF SMILES Flexibase

36135213

Analogs

37800258
37800259
37800260
37800261
37801806

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-benzyl-N-cyclopropyl-4-hydroxy-pyrrolidine-2-carboxamide (2S,4S)-N-benzyl-N-cyclopropyl-4…

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)	0.69	3.46	-42.19	3	4	1	57	261.345	4	↓ MOL2 SDF SMILES Flexibase

36135215

Analogs

37800258
37800259
37800260
37800261
37801806

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-benzyl-N-cyclopropyl-4-hydroxy-pyrrolidine-2-carboxamide (2R,4S)-N-benzyl-N-cyclopropyl-4…

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)	0.69	3.42	-37.72	3	4	1	57	261.345	4	↓ MOL2 SDF SMILES Flexibase

36135216

Analogs

37800258
37800259
37800260
37800261
37801806

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-benzyl-N-cyclopropyl-4-hydroxy-pyrrolidine-2-carboxamide (2S,4R)-N-benzyl-N-cyclopropyl-4…

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)	0.69	3.55	-37.82	3	4	1	57	261.345	4	↓ MOL2 SDF SMILES Flexibase

36135218

Analogs

37800258
37800259
37800260
37800261
37801806

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-benzyl-N-cyclopropyl-4-hydroxy-pyrrolidine-2-carboxamide (2R,4R)-N-benzyl-N-cyclopropyl-4…

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)	0.69	3.46	-39.53	3	4	1	57	261.345	4	↓ MOL2 SDF SMILES Flexibase

55119339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-pyrrolidine-2-carboxamide (2R)-N-cyclopropyl-N-[(4-methyls…

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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)	2.48	10.28	-19	0	4	0	41	346.496	6	↓ MOL2 SDF SMILES Flexibase

55119341

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-pyrrolidine-2-carboxamide (2S)-N-cyclopropyl-N-[(4-methyls…

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)	2.48	9.92	-17.98	0	4	0	41	346.496	6	↓ MOL2 SDF SMILES Flexibase

55154033

Analogs

37822241
37822242

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-1-propanoyl-pyrrolidine-2-carboxamide (2R)-N-cyclopropyl-N-[(2-ethoxyp…

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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)	2.43	9.57	-16.84	0	5	0	50	344.455	7	↓ MOL2 SDF SMILES Flexibase

55154035

Analogs

37822241
37822242

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-1-propanoyl-pyrrolidine-2-carboxamide (2S)-N-cyclopropyl-N-[(2-ethoxyp…

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)	2.43	9.32	-15.64	0	5	0	50	344.455	7	↓ MOL2 SDF SMILES Flexibase

37816855

Analogs

37816856
37816858
37816859
37816867
37816868

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (2S)-N-cyclopropyl-N-[(2-methoxy…

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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)	1.61	7.31	-37.23	2	4	1	46	275.372	5	↓ MOL2 SDF SMILES Flexibase

37816856

Analogs

37816855

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (2R)-N-cyclopropyl-N-[(2-methoxy…

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)	1.61	7.48	-34.92	2	4	1	46	275.372	5	↓ MOL2 SDF SMILES Flexibase

37816875

Analogs

20433918
20433919
20433920

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-cyclopropyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (2S,4S)-N-cyclopropyl-4-hydroxy-…

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)	0.70	4.04	-41.37	3	5	1	66	291.371	5	↓ MOL2 SDF SMILES Flexibase

37816876

Analogs

20433918
20433919
20433920

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-cyclopropyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (2R,4S)-N-cyclopropyl-4-hydroxy-…

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)	0.70	4.35	-38.03	3	5	1	66	291.371	5	↓ MOL2 SDF SMILES Flexibase

37816877

Analogs

20433918
20433919
20433920

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-cyclopropyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (2S,4R)-N-cyclopropyl-4-hydroxy-…

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)	0.70	4.14	-37.91	3	5	1	66	291.371	5	↓ MOL2 SDF SMILES Flexibase

37816878

Analogs

20433918
20433919
20433920

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-cyclopropyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (2R,4R)-N-cyclopropyl-4-hydroxy-…

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)	0.70	4.37	-40.01	3	5	1	66	291.371	5	↓ MOL2 SDF SMILES Flexibase

37817575

Analogs

48921760
48921762
48921764
48921766
49238740

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide (2S)-N-cyclopropyl-N-[(3,4-dichl…

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)	2.89	7.71	-38.94	2	3	1	37	314.236	4	↓ MOL2 SDF SMILES Flexibase

37817576

Analogs

48921760
48921762
48921764
48921766
49238740

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide (2R)-N-cyclopropyl-N-[(3,4-dichl…

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)	2.89	7.83	-38.29	2	3	1	37	314.236	4	↓ MOL2 SDF SMILES Flexibase

37817597

Analogs

55386936

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-pyrrolidine-2-carboxamide (2S,4S)-N-cyclopropyl-N-[(3,4-di…

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)	1.97	4.43	-44.37	3	4	1	57	330.235	4	↓ MOL2 SDF SMILES Flexibase

37817598

Analogs

55386936

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-pyrrolidine-2-carboxamide (2R,4S)-N-cyclopropyl-N-[(3,4-di…

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)	1.97	4.56	-41.37	3	4	1	57	330.235	4	↓ MOL2 SDF SMILES Flexibase

37817599

Analogs

55386936

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-pyrrolidine-2-carboxamide (2S,4R)-N-cyclopropyl-N-[(3,4-di…

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)	1.97	4.52	-40.37	3	4	1	57	330.235	4	↓ MOL2 SDF SMILES Flexibase

37817600

Analogs

55386936

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-pyrrolidine-2-carboxamide (2R,4R)-N-cyclopropyl-N-[(3,4-di…

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)	1.97	4.43	-41.77	3	4	1	57	330.235	4	↓ MOL2 SDF SMILES Flexibase

37823806

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide (2S)-N-cyclopropyl-N-[(3-hydroxy…

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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)	1.10	3.89	-39.06	3	4	1	57	261.345	4	↓ MOL2 SDF SMILES Flexibase

37823807

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide (2R)-N-cyclopropyl-N-[(3-hydroxy…

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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)	1.10	4.01	-38.57	3	4	1	57	261.345	4	↓ MOL2 SDF SMILES Flexibase

37823832

Analogs

36135213
36135215
36135216
36135218

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-cyclopropyl-4-hydroxy-N-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide (2S,4S)-N-cyclopropyl-4-hydroxy-…

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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)	0.18	0.61	-44.36	4	5	1	77	277.344	4	↓ MOL2 SDF SMILES Flexibase

37823833

Analogs

36135213
36135215
36135216
36135218

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-cyclopropyl-4-hydroxy-N-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide (2R,4S)-N-cyclopropyl-4-hydroxy-…

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)	0.18	0.72	-41.58	4	5	1	77	277.344	4	↓ MOL2 SDF SMILES Flexibase

37823834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-cyclopropyl-4-hydroxy-N-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide (2S,4R)-N-cyclopropyl-4-hydroxy-…

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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)	0.18	0.7	-40.16	4	5	1	77	277.344	4	↓ MOL2 SDF SMILES Flexibase

37823835

Analogs

36135213
36135215
36135216
36135218

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-cyclopropyl-4-hydroxy-N-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide (2R,4R)-N-cyclopropyl-4-hydroxy-…

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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)	0.18	0.61	-42.1	4	5	1	77	277.344	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 15967
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 = 15967 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=15967&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": "15967"        

    });
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