ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

12402288

Analogs

12402289
12402319
12402320
12428426
12428427

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-amino-1-(2,6-difluorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinolin (4R)-2-amino-1-(2,6-difluorophen…

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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)	3.73	4.11	-16.66	2	7	0	116	456.474	3	↓ MOL2 SDF SMILES Flexibase

12402289

Analogs

12402319
12402320
12428426
12428427
12428523

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-amino-1-(2,6-difluorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinolin (4S)-2-amino-1-(2,6-difluorophen…

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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)	3.73	4.1	-16.31	2	7	0	116	456.474	3	↓ MOL2 SDF SMILES Flexibase

12402290

Analogs

12402291
12402337
12402338

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-amino-1-(3,5-dichlorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinolin (4R)-2-amino-1-(3,5-dichlorophen…

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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)	4.78	2.25	-14.19	2	7	0	116	489.384	3	↓ MOL2 SDF SMILES Flexibase

12402291

Analogs

12402337
12402338
12402290

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-amino-1-(3,5-dichlorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinolin (4S)-2-amino-1-(3,5-dichlorophen…

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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)	4.78	2.24	-14.66	2	7	0	116	489.384	3	↓ MOL2 SDF SMILES Flexibase

12402292

Analogs

12402293
12428567
12428568

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-amino-1-(2-chloro-5-nitro-phenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-qui (4R)-2-amino-1-(2-chloro-5-nitro…

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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)	4.06	3.34	-17.52	2	10	0	162	499.936	4	↓ MOL2 SDF SMILES Flexibase

12402293

Analogs

12428567
12428568
12402292

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-amino-1-(2-chloro-5-nitro-phenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-qui (4S)-2-amino-1-(2-chloro-5-nitro…

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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)	4.06	3.35	-18.03	2	10	0	162	499.936	4	↓ MOL2 SDF SMILES Flexibase

12402294

Analogs

12402295
12402308
12402309
12402337
12402338

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinolin (4R)-2-amino-1-(3,4-dichlorophen…

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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)	4.78	2.25	-14.87	2	7	0	116	489.384	3	↓ MOL2 SDF SMILES Flexibase

12402295

Analogs

12402308
12402309
12402337
12402338
12402294

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinolin (4S)-2-amino-1-(3,4-dichlorophen…

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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)	4.78	2.26	-14.61	2	7	0	116	489.384	3	↓ MOL2 SDF SMILES Flexibase

12402296

Analogs

12402297

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-amino-1-(3-chloro-4-fluoro-phenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-qu (4R)-2-amino-1-(3-chloro-4-fluor…

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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)	4.26	3.11	-15.55	2	7	0	116	472.929	3	↓ MOL2 SDF SMILES Flexibase

12402297

Analogs

12402296

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-amino-1-(3-chloro-4-fluoro-phenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-qu (4S)-2-amino-1-(3-chloro-4-fluor…

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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)	4.26	3.12	-15.2	2	7	0	116	472.929	3	↓ MOL2 SDF SMILES Flexibase

12402300

Analogs

12402301
12413355
12413357
12428977
12428978

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-amino-1-(4-cyanophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3-c (4R)-2-amino-1-(4-cyanophenyl)-7…

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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)	3.25	3.91	-20.75	2	8	0	140	445.504	3	↓ MOL2 SDF SMILES Flexibase

12402301

Analogs

12413355
12413357
12428977
12428978
12402300

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-amino-1-(4-cyanophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3-c (4S)-2-amino-1-(4-cyanophenyl)-7…

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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)	3.25	3.91	-20.77	2	8	0	140	445.504	3	↓ MOL2 SDF SMILES Flexibase

12402302

Analogs

12402303

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-amino-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-q (4R)-2-amino-7,7-dimethyl-4-(5-n…

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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)	4.39	4.69	-16.67	2	7	0	116	488.491	4	↓ MOL2 SDF SMILES Flexibase

12402303

Analogs

12402302

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-amino-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-q (4S)-2-amino-7,7-dimethyl-4-(5-n…

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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)	4.39	4.69	-16.69	2	7	0	116	488.491	4	↓ MOL2 SDF SMILES Flexibase

12402308

Analogs

12402309
12402294
12402295

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3- (4R)-2-amino-1-(4-chlorophenyl)-…

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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)	4.17	2.38	-15.34	2	7	0	116	454.939	3	↓ MOL2 SDF SMILES Flexibase

12402309

Analogs

12402294
12402295

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3- (4S)-2-amino-1-(4-chlorophenyl)-…

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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)	4.17	2.38	-15.4	2	7	0	116	454.939	3	↓ MOL2 SDF SMILES Flexibase

12402311

Analogs

12402312
12420861
12420863

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3 (4R)-2-amino-1-(4-methoxyphenyl)…

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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)	3.55	2.54	-15.98	2	8	0	125	450.52	4	↓ MOL2 SDF SMILES Flexibase

12402312

Analogs

12420861
12420863
12402311

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3 (4S)-2-amino-1-(4-methoxyphenyl)…

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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)	3.55	2.54	-15.32	2	8	0	125	450.52	4	↓ MOL2 SDF SMILES Flexibase

12402313

Analogs

12402314

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4R)-2-amino-3-cyano-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzen 4-[(4R)-2-amino-3-cyano-7,7-dime…

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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)	2.19	-3.72	-22.68	4	10	0	176	499.574	4	↓ MOL2 SDF SMILES Flexibase

12402314

Analogs

12402313

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S)-2-amino-3-cyano-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzen 4-[(4S)-2-amino-3-cyano-7,7-dime…

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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)	2.19	-3.71	-23.08	4	10	0	176	499.574	4	↓ MOL2 SDF SMILES Flexibase

12402315

Analogs

12402316

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-amino-7,7-dimethyl-1-(4-nitrophenyl)-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3-c (4R)-2-amino-7,7-dimethyl-1-(4-n…

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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)	3.45	3.05	-20.18	2	10	0	162	465.491	4	↓ MOL2 SDF SMILES Flexibase

12402316

Analogs

12402315

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-amino-7,7-dimethyl-1-(4-nitrophenyl)-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3-c (4S)-2-amino-7,7-dimethyl-1-(4-n…

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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)	3.45	3.05	-20.25	2	10	0	162	465.491	4	↓ MOL2 SDF SMILES Flexibase

12402317

Analogs

12402318
12428564
12428565

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-amino-1-(2-chloro-4-nitro-phenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-qui (4R)-2-amino-1-(2-chloro-4-nitro…

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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)	4.06	3.34	-20.73	2	10	0	162	499.936	4	↓ MOL2 SDF SMILES Flexibase

12402318

Analogs

12428564
12428565
12402317

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-amino-1-(2-chloro-4-nitro-phenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-qui (4S)-2-amino-1-(2-chloro-4-nitro…

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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)	4.06	3.11	-16.58	2	10	0	162	499.936	4	↓ MOL2 SDF SMILES Flexibase

12402319

Analogs

12402320
12428426
12428427
12428523
12428524

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-amino-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinolin (4R)-2-amino-1-(2,4-difluorophen…

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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)	3.75	4.04	-14.12	2	7	0	116	456.474	3	↓ MOL2 SDF SMILES Flexibase

12402320

Analogs

12428426
12428427
12428523
12428524
12402288

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-amino-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinolin (4S)-2-amino-1-(2,4-difluorophen…

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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)	3.75	4.04	-14.12	2	7	0	116	456.474	3	↓ MOL2 SDF SMILES Flexibase

12402321

Analogs

12402322
12420034
12420037

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-amino-1-(2,4-dimethoxyphenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoli (4R)-2-amino-1-(2,4-dimethoxyphe…

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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)	3.54	2.7	-14.4	2	9	0	134	480.546	5	↓ MOL2 SDF SMILES Flexibase

12402322

Analogs

12420034
12420037
12402321

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-amino-1-(2,4-dimethoxyphenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoli (4S)-2-amino-1-(2,4-dimethoxyphe…

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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)	3.54	2.7	-14.39	2	9	0	134	480.546	5	↓ MOL2 SDF SMILES Flexibase

12402327

Analogs

12402328

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-amino-1-(3-bromophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3-c (4R)-2-amino-1-(3-bromophenyl)-7…

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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)	4.28	1.77	-14.17	2	7	0	116	499.39	3	↓ MOL2 SDF SMILES Flexibase

12402328

Analogs

12402327

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Popular Name: (4S)-2-amino-1-(3-bromophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3-c (4S)-2-amino-1-(3-bromophenyl)-7…

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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)	4.28	1.78	-13.91	2	7	0	116	499.39	3	↓ MOL2 SDF SMILES Flexibase

12402329

Analogs

12402330

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Popular Name: (4R)-2-amino-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-q (4R)-2-amino-7,7-dimethyl-4-(5-n…

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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)	4.37	4.72	-18.33	2	7	0	116	488.491	4	↓ MOL2 SDF SMILES Flexibase

12402330

Analogs

12402329

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Popular Name: (4S)-2-amino-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-q (4S)-2-amino-7,7-dimethyl-4-(5-n…

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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)	4.37	4.71	-19.11	2	7	0	116	488.491	4	↓ MOL2 SDF SMILES Flexibase

12402337

Analogs

12402338
12402290
12402291

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Popular Name: (4R)-2-amino-1-(3-chlorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3- (4R)-2-amino-1-(3-chlorophenyl)-…

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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)	4.15	2.38	-14.34	2	7	0	116	454.939	3	↓ MOL2 SDF SMILES Flexibase

12402338

Analogs

12402290
12402291

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Popular Name: (4S)-2-amino-1-(3-chlorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3- (4S)-2-amino-1-(3-chlorophenyl)-…

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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)	4.15	2.39	-13.97	2	7	0	116	454.939	3	↓ MOL2 SDF SMILES Flexibase

12402339

Analogs

12402340
4709680
4709684

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Popular Name: (4R)-2-amino-1-(3-fluorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3- (4R)-2-amino-1-(3-fluorophenyl)-…

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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)	3.64	3.27	-14.66	2	7	0	116	438.484	3	↓ MOL2 SDF SMILES Flexibase

12402340

Analogs

12402339
4709680

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Popular Name: (4S)-2-amino-1-(3-fluorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3- (4S)-2-amino-1-(3-fluorophenyl)-…

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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)	3.64	3.28	-14.38	2	7	0	116	438.484	3	↓ MOL2 SDF SMILES Flexibase

12402341

Analogs

12402342
12428894
12428895

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Popular Name: (4R)-2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3-c (4R)-2-amino-7,7-dimethyl-1-(3-n…

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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)	3.43	3.06	-23.83	2	10	0	162	465.491	4	↓ MOL2 SDF SMILES Flexibase

12402342

Analogs

12428894
12428895
12402341

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Popular Name: (4S)-2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3-c (4S)-2-amino-7,7-dimethyl-1-(3-n…

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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)	3.43	3.05	-24.89	2	10	0	162	465.491	4	↓ MOL2 SDF SMILES Flexibase

12402347

Analogs

12402348
12375324
12375325

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Popular Name: (4R)-2-amino-1-(2-cyanophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3-c (4R)-2-amino-1-(2-cyanophenyl)-7…

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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)	3.20	4.06	-18.41	2	8	0	140	445.504	3	↓ MOL2 SDF SMILES Flexibase

12402348

Analogs

12402347
12375324

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-amino-1-(2-cyanophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3-c (4S)-2-amino-1-(2-cyanophenyl)-7…

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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)	3.20	4.05	-18.39	2	8	0	140	445.504	3	↓ MOL2 SDF SMILES Flexibase

12402351

Analogs

12402352
12375404
12375405

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-amino-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-q (4R)-2-amino-7,7-dimethyl-4-(5-n…

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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)	4.34	4.69	-19.92	2	7	0	116	488.491	4	↓ MOL2 SDF SMILES Flexibase

12402352

Analogs

12402351
12375404

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-amino-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-q (4S)-2-amino-7,7-dimethyl-4-(5-n…

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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)	4.34	4.62	-19.97	2	7	0	116	488.491	4	↓ MOL2 SDF SMILES Flexibase

12402353

Analogs

12402354

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-amino-1-(2-chlorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3- (4R)-2-amino-1-(2-chlorophenyl)-…

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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)	4.13	2.6	-13.87	2	7	0	116	454.939	3	↓ MOL2 SDF SMILES Flexibase

12402354

Analogs

12402353

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-amino-1-(2-chlorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3- (4S)-2-amino-1-(2-chlorophenyl)-…

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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)	4.13	2.59	-13.85	2	7	0	116	454.939	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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