ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

8980628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-bromo-5-ethoxy-4-methoxy-phenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (3-bromo-5-ethoxy-4-methoxy-phen…

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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)	4.54	0.74	-8.61	0	4	0	38	390.277	4	↓ MOL2 SDF SMILES Flexibase

10971214

Analogs

45622922
45623920

Draw Identity 99% 90% 80% 70%

Popular Name: (2-bromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-methanone (2-bromophenyl)-(8-methyl-3,4-di…

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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)	4.75	0.12	-9.07	0	2	0	20	330.225	1	↓ MOL2 SDF SMILES Flexibase

10971216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-methanone (4-bromophenyl)-(8-methyl-3,4-di…

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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)	4.79	0.44	-6.41	0	2	0	20	330.225	1	↓ MOL2 SDF SMILES Flexibase

10971220

Analogs

32118076

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-methanone (4-fluorophenyl)-(8-methyl-3,4-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)	4.15	2.12	-6.67	0	2	0	20	269.319	1	↓ MOL2 SDF SMILES Flexibase

10971222

Analogs

21799276

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-methanone (4-chlorophenyl)-(8-methyl-3,4-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)	4.66	1.05	-6.54	0	2	0	20	285.774	1	↓ MOL2 SDF SMILES Flexibase

10971230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(trifluoromethyl)phenyl]-methanone (8-methyl-3,4-dihydro-2H-quinoli…

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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)	4.88	3.54	-6.69	0	2	0	20	319.326	2	↓ MOL2 SDF SMILES Flexibase

10971233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-methanone (3-chlorophenyl)-(8-methyl-3,4-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)	4.64	0.65	-6.91	0	2	0	20	285.774	1	↓ MOL2 SDF SMILES Flexibase

10971237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[3-(trifluoromethyl)phenyl]-methanone (8-methyl-3,4-dihydro-2H-quinoli…

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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)	4.86	2.98	-9.86	0	2	0	20	319.326	2	↓ MOL2 SDF SMILES Flexibase

10971247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-fluorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-methanone (2-fluorophenyl)-(8-methyl-3,4-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)	4.10	1.47	-12.05	0	2	0	20	269.319	1	↓ MOL2 SDF SMILES Flexibase

10971256

Analogs

14423358

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-phenyl-methanone (8-methyl-3,4-dihydro-2H-quinoli…

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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)	3.98	0.8	-8.47	0	2	0	20	251.329	1	↓ MOL2 SDF SMILES Flexibase

10971259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-bromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-methanone (3-bromophenyl)-(8-methyl-3,4-di…

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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)	4.77	0.04	-6.8	0	2	0	20	330.225	1	↓ MOL2 SDF SMILES Flexibase

10971262

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-3-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)carbonyl]benzenesulfonamide N,N-dimethyl-3-[(8-methyl-3,4-di…

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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)	3.27	-3.07	-15.64	0	5	0	58	358.463	3	↓ MOL2 SDF SMILES Flexibase

10971267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-3-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)carbonyl]benzenesulfonamide N,N-diethyl-3-[(8-methyl-3,4-dih…

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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)	4.03	-2.82	-15.59	0	5	0	58	386.517	5	↓ MOL2 SDF SMILES Flexibase

10971270

Analogs

40856218

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(p-tolyl)methanone (8-methyl-3,4-dihydro-2H-quinoli…

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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)	4.43	1.7	-7.64	0	2	0	20	265.356	1	↓ MOL2 SDF SMILES Flexibase

10971283

Analogs

31785434

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N,N-diethyl-5-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)carbonyl]benzenesulfonamide 2-chloro-N,N-diethyl-5-[(8-methy…

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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)	4.66	-1.75	-11.84	0	5	0	58	420.962	5	↓ MOL2 SDF SMILES Flexibase

10971298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-iodophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-methanone (3-iodophenyl)-(8-methyl-3,4-dih…

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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)	5.04	-0.03	-6.6	0	2	0	20	377.225	1	↓ MOL2 SDF SMILES Flexibase

10971337

Analogs

23294702
25765088
37009710
37009723

Draw Identity 99% 90% 80% 70%

Popular Name: (3-fluorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-methanone (3-fluorophenyl)-(8-methyl-3,4-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)	4.12	1.54	-7.14	0	2	0	20	269.319	1	↓ MOL2 SDF SMILES Flexibase

10971350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-difluorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-methanone (2,4-difluorophenyl)-(8-methyl-3…

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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)	4.24	2.21	-10.08	0	2	0	20	287.309	1	↓ MOL2 SDF SMILES Flexibase

10971382

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)carbonyl]benzenesulfonamide N,N-diethyl-4-[(8-methyl-3,4-dih…

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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)	4.05	-2.23	-11.81	0	5	0	58	386.517	5	↓ MOL2 SDF SMILES Flexibase

10971393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(m-tolyl)methanone (8-methyl-3,4-dihydro-2H-quinoli…

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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)	4.41	1.12	-8.57	0	2	0	20	265.356	1	↓ MOL2 SDF SMILES Flexibase

10971428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)carbonyl]benzenesulfonamide N,N-dimethyl-4-[(8-methyl-3,4-di…

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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)	3.30	-2.6	-12.13	0	5	0	58	358.463	3	↓ MOL2 SDF SMILES Flexibase

10971557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(difluoromethylsulfonyl)phenyl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-methanone [4-(difluoromethylsulfonyl)pheny…

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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)	3.41	-1.18	-12.07	0	4	0	54	365.401	3	↓ MOL2 SDF SMILES Flexibase

19432478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(6-methyl3,4-dihydro-2H-quinoline-1-carbonyl)benzonitrile 3-(6-methyl3,4-dihydro-2H-quinol…

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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)	3.74	9.79	-14.12	0	3	0	44	276.339	1	↓ MOL2 SDF SMILES Flexibase

19440118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-aminophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (2-aminophenyl)-(6-methyl-3,4-di…

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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)	3.44	7.57	-8.67	2	3	0	46	266.344	1	↓ MOL2 SDF SMILES Flexibase

19992352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dichlorophenyl)methanone (6-amino-3,4-dihydro-2H-quinolin…

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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)	3.92	7.7	-11.54	2	3	0	46	321.207	1	↓ MOL2 SDF SMILES Flexibase

20006180

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluoro-phenyl)methanone (6-amino-3,4-dihydro-2H-quinolin…

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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)	3.38	7.34	-14.81	2	3	0	46	304.752	1	↓ MOL2 SDF SMILES Flexibase

36137180

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-aminophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (2-aminophenyl)-(8-methyl-3,4-di…

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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)	3.42	7.17	-6.98	2	3	0	46	266.344	1	↓ MOL2 SDF SMILES Flexibase

36137235

Analogs

37846688

Draw Identity 99% 90% 80% 70%

Popular Name: (2-aminophenyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (2-aminophenyl)-(6-methoxy-3,4-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)	3.05	6.21	-9.24	2	4	0	56	282.343	2	↓ MOL2 SDF SMILES Flexibase

53661598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(2-aminoethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone [3-(2-aminoethyl)phenyl]-(3,4-di…

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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)	2.54	7.63	-52.73	3	3	1	48	281.379	3	↓ MOL2 SDF SMILES Flexibase

36754904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(2-nitrophenyl)methanone (8-methoxy-3,4-dihydro-2H-quinol…

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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)	3.50	10.74	-18.7	0	6	0	75	312.325	3	↓ MOL2 SDF SMILES Flexibase

36754909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-3-nitro-phenyl)methanone (8-methoxy-3,4-dihydro-2H-quinol…

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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)	3.90	10.94	-12.7	0	6	0	75	326.352	3	↓ MOL2 SDF SMILES Flexibase

36754922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)benzonitrile 3-(8-methoxy-3,4-dihydro-2H-quin…

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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)	3.32	10.03	-14.99	0	4	0	53	292.338	2	↓ MOL2 SDF SMILES Flexibase

36754923

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (3-bromo-4-ethoxy-5-methoxy-phen…

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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)	4.55	10.66	-9.92	0	5	0	48	420.303	5	↓ MOL2 SDF SMILES Flexibase

36754930

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chloro-4,5-dimethoxy-phenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (3-chloro-4,5-dimethoxy-phenyl)-…

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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)	4.04	9.49	-10.27	0	5	0	48	361.825	4	↓ MOL2 SDF SMILES Flexibase

36754942

Analogs

37839907

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(methoxymethyl)phenyl]methanone (8-methoxy-3,4-dihydro-2H-quinol…

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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	9.47	-11	0	4	0	39	311.381	4	↓ MOL2 SDF SMILES Flexibase

36754946

Analogs

37839069
37839907
37842421

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]acetamide N-[[4-(8-methoxy-3,4-dihydro-2H-…

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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)	2.51	8.76	-15.66	1	5	0	59	338.407	4	↓ MOL2 SDF SMILES Flexibase

36754949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[3-(methylsulfonylmethyl)phenyl]methanone (8-methoxy-3,4-dihydro-2H-quinol…

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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)	2.94	7.86	-22.93	0	5	0	64	359.447	4	↓ MOL2 SDF SMILES Flexibase

36754951

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[3-(methoxymethyl)phenyl]methanone (8-methoxy-3,4-dihydro-2H-quinol…

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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)	3.52	9.46	-12.51	0	4	0	39	311.381	4	↓ MOL2 SDF SMILES Flexibase

53896233

Analogs

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Popular Name: (4-bromo-3-nitro-phenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (4-bromo-3-nitro-phenyl)-(8-meth…

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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)	4.68	10.18	-11.32	0	5	0	66	375.222	2	↓ MOL2 SDF SMILES Flexibase

53896336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethoxy-5-methoxy-2-nitro-phenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (4-ethoxy-5-methoxy-2-nitro-phen…

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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)	3.89	10.49	-13.04	0	7	0	85	370.405	5	↓ MOL2 SDF SMILES Flexibase

13012315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzonitrile 3-(3,4-dihydro-2H-quinoline-1-ca…

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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)	3.31	9.13	-13.95	0	3	0	44	262.312	1	↓ MOL2 SDF SMILES Flexibase

62550333

Analogs

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Popular Name: 3-[(4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]benzonitrile 3-[(4R)-4-hydroxy-6-methyl-3,4-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)	2.50	6.55	-16.35	1	4	0	64	292.338	1	↓ MOL2 SDF SMILES Flexibase

62550335

Analogs

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Popular Name: 3-[(4S)-4-hydroxy-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]benzonitrile 3-[(4S)-4-hydroxy-6-methyl-3,4-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)	2.50	6.61	-16.69	1	4	0	64	292.338	1	↓ MOL2 SDF SMILES Flexibase

62551237

Analogs

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Popular Name: [(4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone [(4S)-6-chloro-4-hydroxy-3,4-dih…

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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	5.35	-12.97	1	5	0	59	347.798	3	↓ MOL2 SDF SMILES Flexibase

62551240

Analogs

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Popular Name: [(4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone [(4R)-6-chloro-4-hydroxy-3,4-dih…

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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	5.38	-13.7	1	5	0	59	347.798	3	↓ MOL2 SDF SMILES Flexibase

62551813

Analogs

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Popular Name: 3-[(4S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-quinoline-1-carbonyl]benzonitrile 3-[(4S)-6-fluoro-4-hydroxy-3,4-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)	2.22	6.05	-15.4	1	4	0	64	296.301	1	↓ MOL2 SDF SMILES Flexibase

62551814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4R)-6-fluoro-4-hydroxy-3,4-dihydro-2H-quinoline-1-carbonyl]benzonitrile 3-[(4R)-6-fluoro-4-hydroxy-3,4-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)	2.22	6.1	-16.23	1	4	0	64	296.301	1	↓ MOL2 SDF SMILES Flexibase

62552477

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4S)-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]-phenyl-methanone [(4S)-4-hydroxy-3,4-dihydro-2H-q…

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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	5.6	-11.46	1	3	0	41	253.301	1	↓ MOL2 SDF SMILES Flexibase

62552478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4R)-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]-phenyl-methanone [(4R)-4-hydroxy-3,4-dihydro-2H-q…

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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	5.65	-12.08	1	3	0	41	253.301	1	↓ MOL2 SDF SMILES Flexibase

62552479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4S)-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]-(o-tolyl)methanone [(4S)-4-hydroxy-3,4-dihydro-2H-q…

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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)	2.75	6.21	-10.83	1	3	0	41	267.328	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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