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ZINC Item

Suppliers, Protomers, & Similar Substances

39893340

Analogs

9060945
9060946
9422650

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-methoxyanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin (5Z)-5-[(4-methoxyanilino)methyl…

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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)	2.01	7.58	-21.3	1	7	0	93	367.405	5	↓ MOL2 SDF SMILES Flexibase

39893341

Analogs

9060945
9060946
9422650

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-methoxyanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin (5Z)-5-[(4-methoxyanilino)methyl…

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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)	2.01	7.67	-23.23	1	7	0	93	367.405	5	↓ MOL2 SDF SMILES Flexibase

39893361

Analogs

16693975
9422240

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-4-methyl-5-[(2-nitroanilino)methylene]-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine- (5Z)-4-methyl-5-[(2-nitroanilino…

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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)	1.86	9.22	-30.68	1	9	0	130	382.376	5	↓ MOL2 SDF SMILES Flexibase

39893362

Analogs

16693975
9422240

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-4-methyl-5-[(2-nitroanilino)methylene]-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine- (5Z)-4-methyl-5-[(2-nitroanilino…

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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)	1.86	9.29	-31.88	1	9	0	130	382.376	5	↓ MOL2 SDF SMILES Flexibase

39893384

Analogs

9422239
9422240

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-bromoanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine- (5Z)-5-[(4-bromoanilino)methylen…

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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)	2.76	8.92	-20.9	1	6	0	84	416.275	4	↓ MOL2 SDF SMILES Flexibase

39893385

Analogs

9422239
9422240

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-bromoanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine- (5Z)-5-[(4-bromoanilino)methylen…

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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)	2.76	9	-22.74	1	6	0	84	416.275	4	↓ MOL2 SDF SMILES Flexibase

39893406

Analogs

13629882
13629883

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-chloroanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine (5Z)-5-[(3-chloroanilino)methyle…

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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)	2.61	8.82	-22.22	1	6	0	84	371.824	4	↓ MOL2 SDF SMILES Flexibase

39893407

Analogs

13629882
13629883

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-chloroanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine (5Z)-5-[(3-chloroanilino)methyle…

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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)	2.61	8.91	-23.95	1	6	0	84	371.824	4	↓ MOL2 SDF SMILES Flexibase

39893429

Analogs

9050851
9050846

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3,4-dimethylanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyri (5E)-5-[(3,4-dimethylanilino)met…

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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)	2.78	9.78	-18.2	1	6	0	84	365.433	4	↓ MOL2 SDF SMILES Flexibase

39893430

Analogs

9050851
9050846

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3,4-dimethylanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyri (5E)-5-[(3,4-dimethylanilino)met…

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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)	2.78	9.78	-19.89	1	6	0	84	365.433	4	↓ MOL2 SDF SMILES Flexibase

39893453

Analogs

9050851
9050846

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-4-methyl-5-[(4-nitroanilino)methylene]-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine- (5Z)-4-methyl-5-[(4-nitroanilino…

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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)	1.91	9.01	-26.41	1	9	0	130	382.376	5	↓ MOL2 SDF SMILES Flexibase

39893454

Analogs

9050851
9050846

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-4-methyl-5-[(4-nitroanilino)methylene]-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine- (5Z)-4-methyl-5-[(4-nitroanilino…

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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)	1.91	9.09	-28.57	1	9	0	130	382.376	5	↓ MOL2 SDF SMILES Flexibase

39893476

Analogs

9422240
9422239

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-4-methyl-5-[(3-nitroanilino)methylene]-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine- (5Z)-4-methyl-5-[(3-nitroanilino…

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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)	1.89	9	-29.91	1	9	0	130	382.376	5	↓ MOL2 SDF SMILES Flexibase

39893477

Analogs

9422240
9422239

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-4-methyl-5-[(3-nitroanilino)methylene]-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine- (5Z)-4-methyl-5-[(3-nitroanilino…

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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)	1.89	9.08	-31.71	1	9	0	130	382.376	5	↓ MOL2 SDF SMILES Flexibase

39893500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,5-dichloroanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyri (5Z)-5-[(2,5-dichloroanilino)met…

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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)	3.24	9.4	-19.72	1	6	0	84	406.269	4	↓ MOL2 SDF SMILES Flexibase

39893501

Analogs

13629882
13629883
9341147

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,5-dichloroanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyri (5Z)-5-[(2,5-dichloroanilino)met…

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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)	3.24	9.48	-21.42	1	6	0	84	406.269	4	↓ MOL2 SDF SMILES Flexibase

39893544

Analogs

9341147
9341149

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-chloroanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine (5Z)-5-[(2-chloroanilino)methyle…

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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)	2.58	8.89	-22.71	1	6	0	84	371.824	4	↓ MOL2 SDF SMILES Flexibase

39893545

Analogs

9341147
9341149

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-chloroanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine (5Z)-5-[(2-chloroanilino)methyle…

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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)	2.58	8.97	-24.17	1	6	0	84	371.824	4	↓ MOL2 SDF SMILES Flexibase

39893568

Analogs

13629882
13629883
9341147

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,3-dichloroanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyri (5Z)-5-[(2,3-dichloroanilino)met…

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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)	3.21	9.36	-24.96	1	6	0	84	406.269	4	↓ MOL2 SDF SMILES Flexibase

39893569

Analogs

13629882
13629883
9341147

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,3-dichloroanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyri (5Z)-5-[(2,3-dichloroanilino)met…

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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)	3.21	9.44	-26.59	1	6	0	84	406.269	4	↓ MOL2 SDF SMILES Flexibase

39893591

Analogs

9341147
9341149

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,6-dichloroanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyri (5Z)-5-[(2,6-dichloroanilino)met…

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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)	3.21	9.43	-18.08	1	6	0	84	406.269	4	↓ MOL2 SDF SMILES Flexibase

39893592

Analogs

9341147
9341149

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,6-dichloroanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyri (5Z)-5-[(2,6-dichloroanilino)met…

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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)	3.21	9.51	-19.65	1	6	0	84	406.269	4	↓ MOL2 SDF SMILES Flexibase

39893638

Analogs

9344510
9344512
9340508

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-4-methyl-5-[(2-methylanilino)methylene]-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine (5E)-4-methyl-5-[(2-methylanilin…

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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)	2.35	9.27	-17.52	1	6	0	84	351.406	4	↓ MOL2 SDF SMILES Flexibase

39893639

Analogs

9344510
9344512
9340508

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-4-methyl-5-[(2-methylanilino)methylene]-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine (5E)-4-methyl-5-[(2-methylanilin…

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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)	2.35	9.28	-19.11	1	6	0	84	351.406	4	↓ MOL2 SDF SMILES Flexibase

39893686

Analogs

9344510
9344512
9422239

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-4-methyl-5-[(4-methyl-3-nitro-anilino)methylene]-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl (5E)-4-methyl-5-[(4-methyl-3-nit…

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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)	2.29	9.91	-24.6	1	9	0	130	396.403	5	↓ MOL2 SDF SMILES Flexibase

39893687

Analogs

9344510
9344512
9422239

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-4-methyl-5-[(4-methyl-3-nitro-anilino)methylene]-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl (5E)-4-methyl-5-[(4-methyl-3-nit…

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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)	2.29	9.92	-26.8	1	9	0	130	396.403	5	↓ MOL2 SDF SMILES Flexibase

39893711

Analogs

9344510
9344512
9420960

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]-5-[[2-(trifluoromethyl)anilino]methyle (5Z)-4-methyl-2,6-dioxo-1-[[(2S)…

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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)	2.80	9.5	-25.04	1	6	0	84	405.376	5	↓ MOL2 SDF SMILES Flexibase

39893712

Analogs

9344510
9344512
9420960

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]-5-[[2-(trifluoromethyl)anilino]methyle (5Z)-4-methyl-2,6-dioxo-1-[[(2R)…

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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)	2.80	9.58	-26.39	1	6	0	84	405.376	5	↓ MOL2 SDF SMILES Flexibase

39893736

Analogs

9422239
9422240

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-bromo-4-nitro-anilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl] (5Z)-5-[(2-bromo-4-nitro-anilino…

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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)	2.65	9.73	-26.93	1	9	0	130	461.272	5	↓ MOL2 SDF SMILES Flexibase

39893737

Analogs

9422239
9422240

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-bromo-4-nitro-anilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl] (5Z)-5-[(2-bromo-4-nitro-anilino…

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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)	2.65	9.81	-28.83	1	9	0	130	461.272	5	↓ MOL2 SDF SMILES Flexibase

39893759

Analogs

9050846
9050851

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-4-methyl-5-[(4-methylanilino)methylene]-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine (5E)-4-methyl-5-[(4-methylanilin…

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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)	2.40	9.23	-18.5	1	6	0	84	351.406	4	↓ MOL2 SDF SMILES Flexibase

39893760

Analogs

9050846
9050851

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-4-methyl-5-[(4-methylanilino)methylene]-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine (5E)-4-methyl-5-[(4-methylanilin…

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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)	2.40	9.23	-20.12	1	6	0	84	351.406	4	↓ MOL2 SDF SMILES Flexibase

39893829

Analogs

9050846
9050851

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-fluoroanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine (5Z)-5-[(4-fluoroanilino)methyle…

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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)	2.12	8.37	-21.76	1	6	0	84	355.369	4	↓ MOL2 SDF SMILES Flexibase

39893830

Analogs

9050846
9050851

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-fluoroanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine (5Z)-5-[(4-fluoroanilino)methyle…

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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)	2.12	8.45	-23.66	1	6	0	84	355.369	4	↓ MOL2 SDF SMILES Flexibase

39893897

Analogs

9341983
13629882
13629883

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-chloro-4-methoxy-anilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]meth (5Z)-5-[(3-chloro-4-methoxy-anil…

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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)	2.61	8.14	-24.47	1	7	0	93	401.85	5	↓ MOL2 SDF SMILES Flexibase

39893898

Analogs

9341983
13629882
13629883

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-chloro-4-methoxy-anilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]meth (5Z)-5-[(3-chloro-4-methoxy-anil…

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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)	2.61	8.22	-26.28	1	7	0	93	401.85	5	↓ MOL2 SDF SMILES Flexibase

39893944

Analogs

13629883
13629882
9304579

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(5-chloro-2-methoxy-anilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]meth (5Z)-5-[(5-chloro-2-methoxy-anil…

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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)	2.61	8.21	-20.56	1	7	0	93	401.85	5	↓ MOL2 SDF SMILES Flexibase

39893945

Analogs

13629883
13629882
9304579

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(5-chloro-2-methoxy-anilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]meth (5Z)-5-[(5-chloro-2-methoxy-anil…

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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)	2.61	8.29	-22.17	1	7	0	93	401.85	5	↓ MOL2 SDF SMILES Flexibase

39893968

Analogs

13629882
13629883
9304576

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-chloro-4-methyl-anilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methy (5E)-5-[(3-chloro-4-methyl-anili…

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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)	3.01	9.65	-19.78	1	6	0	84	385.851	4	↓ MOL2 SDF SMILES Flexibase

39893969

Analogs

13629882
13629883
9304576

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-chloro-4-methyl-anilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methy (5E)-5-[(3-chloro-4-methyl-anili…

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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)	3.01	9.65	-21.33	1	6	0	84	385.851	4	↓ MOL2 SDF SMILES Flexibase

39893991

Analogs

9050846
9050851

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-4-methyl-5-[(3-methylanilino)methylene]-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine (5E)-4-methyl-5-[(3-methylanilin…

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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)	2.38	9.22	-18.23	1	6	0	84	351.406	4	↓ MOL2 SDF SMILES Flexibase

39893992

Analogs

9050846
9050851

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-4-methyl-5-[(3-methylanilino)methylene]-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine (5E)-4-methyl-5-[(3-methylanilin…

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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)	2.38	9.22	-19.87	1	6	0	84	351.406	4	↓ MOL2 SDF SMILES Flexibase

39894016

Analogs

13629883
13629882
9304576

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-chloro-2-methyl-anilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methy (5E)-5-[(3-chloro-2-methyl-anili…

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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)	2.98	9.69	-18.36	1	6	0	84	385.851	4	↓ MOL2 SDF SMILES Flexibase

39894017

Analogs

13629883
13629882
9304576

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-chloro-2-methyl-anilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methy (5E)-5-[(3-chloro-2-methyl-anili…

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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)	2.98	9.69	-20.08	1	6	0	84	385.851	4	↓ MOL2 SDF SMILES Flexibase

39894065

Analogs

9422650
9422651
9422241

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,5-dimethoxyanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyr (5Z)-5-[(2,5-dimethoxyanilino)me…

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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)	1.99	7	-21.03	1	8	0	103	397.431	6	↓ MOL2 SDF SMILES Flexibase

39894066

Analogs

9422650
9422651
9422241

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,5-dimethoxyanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyr (5Z)-5-[(2,5-dimethoxyanilino)me…

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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)	1.99	7.09	-22.59	1	8	0	103	397.431	6	↓ MOL2 SDF SMILES Flexibase

39894088

Analogs

9344512
9344510
6425087

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-4-methyl-5-[(2-methyl-4-nitro-anilino)methylene]-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl (5E)-4-methyl-5-[(2-methyl-4-nit…

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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)	2.29	9.98	-23.68	1	9	0	130	396.403	5	↓ MOL2 SDF SMILES Flexibase

39894089

Analogs

9344512
9344510
6425087

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-4-methyl-5-[(2-methyl-4-nitro-anilino)methylene]-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl (5E)-4-methyl-5-[(2-methyl-4-nit…

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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)	2.29	9.98	-25.56	1	9	0	130	396.403	5	↓ MOL2 SDF SMILES Flexibase

39894113

Analogs

9344510
9344512

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(2,5-dimethylanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyri (5E)-5-[(2,5-dimethylanilino)met…

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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)	2.78	9.93	-17.22	1	6	0	84	365.433	4	↓ MOL2 SDF SMILES Flexibase

39894114

Analogs

9344510
9344512

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(2,5-dimethylanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyri (5E)-5-[(2,5-dimethylanilino)met…

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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)	2.78	9.94	-18.76	1	6	0	84	365.433	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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