ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36637272

Analogs

36637380
36637479
36637644
36637713
36637830

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-dimethylaminoethyl)-N-(6-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)	6.21	15.52	-44.79	1	5	1	51	467.618	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.21	13.05	-11.84	0	5	0	49	466.61	6	↓ MOL2 SDF SMILES Flexibase

36637287

Analogs

36637745
36637830
36707936
36707956

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-dimethylaminoethyl)-N-(6-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)	5.82	14.09	-46.83	1	6	1	60	483.617	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.82	11.7	-12.35	0	6	0	59	482.609	7	↓ MOL2 SDF SMILES Flexibase

36637308

Analogs

36637766
36643262
36675039
36707956

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-dimethylaminoethyl)-N-(6-et…

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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)	6.20	15.08	-46.79	1	6	1	60	497.644	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.20	12.67	-12.06	0	6	0	59	496.636	8	↓ MOL2 SDF SMILES Flexibase

36637319

Analogs

36637792
36637830
36643279
36707797

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-dimethylaminoethyl)-N-(6-fl…

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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)	5.93	14.96	-45.92	1	5	1	51	471.581	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.93	12.48	-10.18	0	5	0	49	470.573	6	↓ MOL2 SDF SMILES Flexibase

36637337

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-phenyl-quinoline-4-carboxamide N-(6-chloro-1,3-benzothiazol-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.44	15.32	-45.68	1	5	1	51	488.036	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.44	12.89	-10.02	0	5	0	49	487.028	6	↓ MOL2 SDF SMILES Flexibase

36637380

Analogs

36637272

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-dimethylaminoethyl)-N-(6-et…

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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)	6.68	16.29	-44.7	1	5	1	51	481.645	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.68	13.81	-11.45	0	5	0	49	480.637	7	↓ MOL2 SDF SMILES Flexibase

36637410

Analogs

36637580
36637613
36637644
36637830
36638203

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-dimethylaminoethyl)-N-(4-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)	6.19	15.73	-51.38	1	5	1	51	467.618	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.19	13.37	-15.52	0	5	0	49	466.61	6	↓ MOL2 SDF SMILES Flexibase

36637426

Analogs

36637985
36707722
36710592

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-dimethylaminoethyl)-N-(4-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)	5.80	14.37	-54.63	1	6	1	60	483.617	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.80	11.92	-19.3	0	6	0	59	482.609	7	↓ MOL2 SDF SMILES Flexibase

36637446

Analogs

36638007
36643451
36707722

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-dimethylaminoethyl)-N-(4-et…

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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)	6.17	15.32	-55.36	1	6	1	60	497.644	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.17	12.86	-19.72	0	6	0	59	496.636	8	↓ MOL2 SDF SMILES Flexibase

36637463

Analogs

36637830
36638034
36643465
36675090
36707797

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-dimethylaminoethyl)-N-(4-fl…

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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)	5.90	14.96	-43.02	1	5	1	51	471.581	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.90	12.45	-13.51	0	5	0	49	470.573	6	↓ MOL2 SDF SMILES Flexibase

36637479

Analogs

36638073
9543317
9541079
10065906

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-phenyl-quinoline-4-carboxamide N-(4-chloro-1,3-benzothiazol-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.42	15.32	-43.37	1	5	1	51	488.036	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.42	12.9	-12.23	0	5	0	49	487.028	6	↓ MOL2 SDF SMILES Flexibase

36637580

Analogs

12140854
36637410

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-dimethylaminoethyl)-N-(4,5-…

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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)	6.59	16.36	-51.74	1	5	1	51	481.645	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.59	13.94	-15.29	0	5	0	49	480.637	6	↓ MOL2 SDF SMILES Flexibase

36637613

Analogs

12140854
36637410

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-dimethylaminoethyl)-N-(4,6-…

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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)	6.59	16.38	-51.08	1	5	1	51	481.645	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.59	14.02	-15.15	0	5	0	49	480.637	6	↓ MOL2 SDF SMILES Flexibase

36637644

Analogs

9543688
36637272
36637410

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-dimethylaminoethyl)-N-(5,7-…

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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)	6.59	16.12	-44.46	1	5	1	51	481.645	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.59	13.76	-12.1	0	5	0	49	480.637	6	↓ MOL2 SDF SMILES Flexibase

36637671

Analogs

36640454
36643758
36710592

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxami N-(2-dimethylaminoethyl)-N-(4-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)	6.20	14.81	-44.24	1	6	1	60	497.644	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.20	12.33	-14.6	0	6	0	59	496.636	7	↓ MOL2 SDF SMILES Flexibase

36637682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-phenyl-quinoline-4-carboxamide N-(4,7-dimethoxy-1,3-benzothiazo…

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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)	5.80	13.44	-46.27	1	7	1	69	513.643	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.80	10.96	-16.17	0	7	0	68	512.635	8	↓ MOL2 SDF SMILES Flexibase

36637689

Analogs

36640534
36643793
36675090
36707797
36712348

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-phenyl-quinoline-4-carboxamide N-(4,6-difluoro-1,3-benzothiazol…

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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)	6.02	15.03	-43.02	1	5	1	51	489.571	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.02	12.52	-9.89	0	5	0	49	488.563	6	↓ MOL2 SDF SMILES Flexibase

36637713

Analogs

36637272

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-diethylaminoethyl)-N-(6-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)	6.96	16.82	-42.07	1	5	1	51	495.672	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.96	14.41	-11.24	0	5	0	49	494.664	8	↓ MOL2 SDF SMILES Flexibase

36637745

Analogs

36637287

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-diethylaminoethyl)-N-(6-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)	6.57	15.46	-44.2	1	6	1	60	511.671	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.57	13.39	-11.66	0	6	0	59	510.663	9	↓ MOL2 SDF SMILES Flexibase

36637766

Analogs

36637308

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-diethylaminoethyl)-N-(6-eth…

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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)	6.95	16.39	-43.94	1	6	1	60	525.698	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.95	14.32	-11.44	0	6	0	59	524.69	10	↓ MOL2 SDF SMILES Flexibase

36637792

Analogs

36637319

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-diethylaminoethyl)-N-(6-flu…

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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)	6.68	16.25	-43.64	1	5	1	51	499.635	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.68	13.83	-9.66	0	5	0	49	498.627	8	↓ MOL2 SDF SMILES Flexibase

36637830

Analogs

9541079
36637272
2082862

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-phenyl-quinoline-4-carboxamide N-(6-chloro-1,3-benzothiazol-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.19	16.69	-42.93	1	5	1	51	516.09	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	7.19	14.28	-9.37	0	5	0	49	515.082	8	↓ MOL2 SDF SMILES Flexibase

36637914

Analogs

36637272

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-diethylaminoethyl)-N-(6-eth…

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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)	7.43	17.63	-42.06	1	5	1	51	509.699	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	7.43	15.52	-10.96	0	5	0	49	508.691	9	↓ MOL2 SDF SMILES Flexibase

36637985

Analogs

36637426

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-diethylaminoethyl)-N-(4-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)	6.55	15.65	-52.43	1	6	1	60	511.671	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.55	13.6	-18.99	0	6	0	59	510.663	9	↓ MOL2 SDF SMILES Flexibase

36638007

Analogs

36637446

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-diethylaminoethyl)-N-(4-eth…

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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)	6.92	16.58	-52.29	1	6	1	60	525.698	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.92	14.53	-19.05	0	6	0	59	524.69	10	↓ MOL2 SDF SMILES Flexibase

36638034

Analogs

36637463

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-diethylaminoethyl)-N-(4-flu…

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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)	6.65	16.25	-40.81	1	5	1	51	499.635	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.65	14.18	-12.43	0	5	0	49	498.627	8	↓ MOL2 SDF SMILES Flexibase

36638072

Analogs

36638073
9543317
9541079
10065906

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-phenyl-quinoline-4-carboxamide N-(4-chloro-1,3-benzothiazol-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.17	16.39	-37.53	1	5	1	51	516.09	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	7.17	14.28	-11.26	0	5	0	49	515.082	8	↓ MOL2 SDF SMILES Flexibase

36638166

Analogs

9604091

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-diethylaminoethyl)-N-(5-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)	6.57	15.64	-52.78	1	6	1	60	511.671	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.57	13.24	-17.09	0	6	0	59	510.663	9	↓ MOL2 SDF SMILES Flexibase

36638203

Analogs

12140854
36637410

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-diethylaminoethyl)-N-(4,5-d…

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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)	7.34	17.62	-48.73	1	5	1	51	509.699	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	7.34	15.23	-15.06	0	5	0	49	508.691	8	↓ MOL2 SDF SMILES Flexibase

36640322

Analogs

12140854
36637410

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-diethylaminoethyl)-N-(4,6-d…

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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)	7.34	17.73	-48.62	1	5	1	51	509.699	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	7.34	15.33	-14.6	0	5	0	49	508.691	8	↓ MOL2 SDF SMILES Flexibase

36640390

Analogs

9543688
36637272
36637410

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-diethylaminoethyl)-N-(5,7-d…

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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)	7.34	17.48	-41.67	1	5	1	51	509.699	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	7.34	15.06	-11.43	0	5	0	49	508.691	8	↓ MOL2 SDF SMILES Flexibase

36640454

Analogs

36637671

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamid N-(2-diethylaminoethyl)-N-(4-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)	6.95	16.12	-41.49	1	6	1	60	525.698	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.95	14.03	-13.85	0	6	0	59	524.69	9	↓ MOL2 SDF SMILES Flexibase

36640534

Analogs

36637689

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-(2-diethylaminoethyl)-N-(4,6-d…

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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)	6.77	16.32	-40.73	1	5	1	51	517.625	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.77	13.9	-9.03	0	5	0	49	516.617	8	↓ MOL2 SDF SMILES Flexibase

36643157

Analogs

36643212
36643366
36705047
17122093

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-[3-(dimethylamino)propyl]-N-(6…

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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)	6.48	16.3	-44.16	1	5	1	51	481.645	7	↓ MOL2 SDF SMILES Flexibase

36643212

Analogs

36643262
36643279
36643304
36643365
36643451

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-[3-(dimethylamino)propyl]-N-(6…

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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)	6.09	14.96	-45.48	1	6	1	60	497.644	8	↓ MOL2 SDF SMILES Flexibase

36643262

Analogs

36643263
36643433
36643543
36643579
36643212

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-[3-(dimethylamino)propyl]-N-(6…

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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)	6.47	15.87	-45.98	1	6	1	60	511.671	9	↓ MOL2 SDF SMILES Flexibase

36643279

Analogs

10067638

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-[3-(dimethylamino)propyl]-N-(6…

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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)	6.20	15.75	-44.56	1	5	1	51	485.608	7	↓ MOL2 SDF SMILES Flexibase

36643304

Analogs

36643305
36643212
2082862

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenyl-quinoline-4-carboxamide N-(6-chloro-1,3-benzothiazol-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.71	16.2	-43.97	1	5	1	51	502.063	7	↓ MOL2 SDF SMILES Flexibase

36643365

Analogs

36643366
36705047
17122093

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-[3-(dimethylamino)propyl]-N-(6…

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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)	6.95	17.07	-44.02	1	5	1	51	495.672	8	↓ MOL2 SDF SMILES Flexibase

36643403

Analogs

36643404
36643644
36643685
36705047
12140854

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-[3-(dimethylamino)propyl]-N-(4…

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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)	6.46	16.54	-50.19	1	5	1	51	481.645	7	↓ MOL2 SDF SMILES Flexibase

36643433

Analogs

36643451
36643615
36643758
36643777
36707722

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-[3-(dimethylamino)propyl]-N-(4…

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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)	6.07	15.17	-53.73	1	6	1	60	497.644	8	↓ MOL2 SDF SMILES Flexibase

36643451

Analogs

36643452
36643433
36643212

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-[3-(dimethylamino)propyl]-N-(4…

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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)	6.44	16.1	-54.6	1	6	1	60	511.671	9	↓ MOL2 SDF SMILES Flexibase

36643465

Analogs

36643794
10068009

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-[3-(dimethylamino)propyl]-N-(4…

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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)	6.17	15.35	-40.93	1	5	1	51	485.608	7	↓ MOL2 SDF SMILES Flexibase

36643496

Analogs

36643498

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenyl-quinoline-4-carboxamide N-(4-chloro-1,3-benzothiazol-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.69	15.8	-40.63	1	5	1	51	502.063	7	↓ MOL2 SDF SMILES Flexibase

36643579

Analogs

36643615
36643262
36643550

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenyl-quinoline-4-carboxamide N-(5,6-dimethoxy-1,3-benzothiazo…

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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)	5.68	14.88	-46.27	1	7	1	69	527.67	9	↓ MOL2 SDF SMILES Flexibase

36643615

Analogs

36643579
36643212

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-[3-(dimethylamino)propyl]-N-(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)	6.09	15.17	-53.61	1	6	1	60	497.644	8	↓ MOL2 SDF SMILES Flexibase

36643643

Analogs

36643644
36643685
36705047
36643404
12140854

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-[3-(dimethylamino)propyl]-N-(4…

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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)	6.86	17.14	-50.84	1	5	1	51	495.672	7	↓ MOL2 SDF SMILES Flexibase

36643684

Analogs

36643685
36705047
36643644
36643404

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-[3-(dimethylamino)propyl]-N-(4…

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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)	6.86	17.26	-50.57	1	5	1	51	495.672	7	↓ MOL2 SDF SMILES Flexibase

36643724

Analogs

36643725
36705047
36643212

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide N-[3-(dimethylamino)propyl]-N-(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)	6.86	16.95	-43.88	1	5	1	51	495.672	7	↓ MOL2 SDF SMILES Flexibase

36643758

Analogs

36643759
36643433
36643212

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carbox N-[3-(dimethylamino)propyl]-N-(4…

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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)	6.47	15.59	-44.2	1	6	1	60	511.671	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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