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ZINC Item

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10971360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5,6-dichloro-3-pyridyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-methanone (5,6-dichloro-3-pyridyl)-(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)	4.37	0.16	-5.8	0	3	0	33	321.207	1	↓ MOL2 SDF SMILES Flexibase

11999049

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide 2-methyl-N-[1-(pyridine-3-carbon…

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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)	2.62	-0.67	-17.97	1	5	0	62	323.396	3	↓ MOL2 SDF SMILES Flexibase

11999152

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide N-[1-(pyridine-3-carbonyl)-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)	1.54	-1.09	-18.65	1	5	0	62	295.342	2	↓ MOL2 SDF SMILES Flexibase

13008555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methoxy-3-pyridyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (2-methoxy-3-pyridyl)-(8-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)	3.09	7.04	-11.31	0	4	0	42	282.343	2	↓ MOL2 SDF SMILES Flexibase

36754976

Analogs

34234765
34234771

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(6-methyl-3-pyridyl)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)	2.41	8.51	-10.31	0	4	0	42	282.343	2	↓ MOL2 SDF SMILES Flexibase

36754980

Analogs

34234771

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[6-(trifluoromethyl)-3-pyridyl]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)	3.32	8.82	-9.71	0	4	0	42	336.313	3	↓ MOL2 SDF SMILES Flexibase

62552581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4R)-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]-(3-pyridyl)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)	1.11	3.74	-10.88	1	4	0	53	254.289	1	↓ MOL2 SDF SMILES Flexibase

62552582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4S)-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]-(3-pyridyl)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)	1.11	3.8	-11.21	1	4	0	53	254.289	1	↓ MOL2 SDF SMILES Flexibase

61442523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methoxy-3-pyridyl)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)	1.75	3.75	-15.23	2	5	0	68	283.331	2	↓ MOL2 SDF SMILES Flexibase

61442680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methoxy-3-pyridyl)methanone (7-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)	1.75	4.22	-15.48	2	5	0	68	283.331	2	↓ MOL2 SDF SMILES Flexibase

55113339

Analogs

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Popular Name: methyl 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)	2.57	8.64	-10.26	0	5	0	60	324.38	3	↓ MOL2 SDF SMILES Flexibase

69704384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-fluoro-3-pyridyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (6-fluoro-3-pyridyl)-(6-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)	3.28	7.56	-8.97	0	3	0	33	270.307	1	↓ MOL2 SDF SMILES Flexibase

69704582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridyl)methanone 3,4-dihydro-2H-quinolin-1-yl-(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)	2.85	6.89	-8.9	0	3	0	33	256.28	1	↓ MOL2 SDF SMILES Flexibase

69705375

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-fluoro-3-pyridyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (6-fluoro-3-pyridyl)-(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)	3.25	7.16	-6.91	0	3	0	33	270.307	1	↓ MOL2 SDF SMILES Flexibase

69705768

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-fluoro-3-pyridyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (6-fluoro-3-pyridyl)-(8-methoxy-…

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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)	2.86	7.74	-9.84	0	4	0	42	286.306	2	↓ MOL2 SDF SMILES Flexibase

67171767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[6-(3-methoxypropoxy)-3-pyridyl]methanone (5-chloro-8-fluoro-3,4-dihydro-2…

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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	6.85	-10.62	0	5	0	52	378.831	6	↓ MOL2 SDF SMILES Flexibase

40548659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxamide 1-(6-methylpyridine-3-carbonyl)-…

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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)	1.17	4.22	-12.03	2	5	0	76	295.342	2	↓ MOL2 SDF SMILES Flexibase

70194648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-hydroxy-3-pyridyl)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)	1.33	3.27	-23.46	3	5	0	84	269.304	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.33	2.69	-48.62	2	5	-1	82	268.296	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.33	1.93	-11.24	3	5	0	79	269.304	1	↓ MOL2 SDF SMILES Flexibase

70195483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(2-methoxy-3-pyridyl)methanone [(3R)-3-amino-3,4-dihydro-2H-qui…

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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)	1.04	3.58	-66.26	3	5	1	70	284.339	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.04	3.27	-13.92	2	5	0	68	283.331	2	↓ MOL2 SDF SMILES Flexibase

70195484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(2-methoxy-3-pyridyl)methanone [(3S)-3-amino-3,4-dihydro-2H-qui…

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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)	1.04	3.32	-66.49	3	5	1	70	284.339	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.04	3	-13.27	2	5	0	68	283.331	2	↓ MOL2 SDF SMILES Flexibase

70195589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(6-methyl-3-pyridyl)methanone [(3R)-3-amino-3,4-dihydro-2H-qui…

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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)	0.74	4.76	-59.76	3	4	1	61	268.34	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.74	4.44	-9.21	2	4	0	59	267.332	1	↓ MOL2 SDF SMILES Flexibase

70195590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(6-methyl-3-pyridyl)methanone [(3S)-3-amino-3,4-dihydro-2H-qui…

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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)	0.74	4.72	-58.65	3	4	1	61	268.34	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.74	4.4	-8.49	2	4	0	59	267.332	1	↓ MOL2 SDF SMILES Flexibase

70195651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(3-pyridyl)methanone [(3S)-3-amino-3,4-dihydro-2H-qui…

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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)	0.69	4.19	-60.02	3	4	1	61	254.313	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.69	3.86	-8.8	2	4	0	59	253.305	1	↓ MOL2 SDF SMILES Flexibase

70195652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(3-pyridyl)methanone [(3R)-3-amino-3,4-dihydro-2H-qui…

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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)	0.69	4.12	-58.98	3	4	1	61	254.313	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.69	3.8	-9.04	2	4	0	59	253.305	1	↓ MOL2 SDF SMILES Flexibase

70195683

Analogs

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Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(5-hydroxy-3-pyridyl)methanone [(3S)-3-amino-3,4-dihydro-2H-qui…

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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)	0.62	1.31	-61.92	4	5	1	81	270.312	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.62	0.98	-9.34	3	5	0	79	269.304	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.62	1.74	-45.49	2	5	-1	82	268.296	1	↓ MOL2 SDF SMILES Flexibase

70195684

Analogs

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Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(5-hydroxy-3-pyridyl)methanone [(3R)-3-amino-3,4-dihydro-2H-qui…

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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)	0.62	1.24	-62.17	4	5	1	81	270.312	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.62	0.93	-10.03	3	5	0	79	269.304	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.62	1.69	-46.48	2	5	-1	82	268.296	1	↓ MOL2 SDF SMILES Flexibase

70195863

Analogs

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Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(5-bromo-3-pyridyl)methanone [(3S)-3-amino-3,4-dihydro-2H-qui…

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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)	1.65	4.78	-61.73	3	4	1	61	333.209	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.65	4.46	-7.26	2	4	0	59	332.201	1	↓ MOL2 SDF SMILES Flexibase

70195864

Analogs

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Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(5-bromo-3-pyridyl)methanone [(3R)-3-amino-3,4-dihydro-2H-qui…

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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)	1.65	4.72	-60.16	3	4	1	61	333.209	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.65	4.4	-7.51	2	4	0	59	332.201	1	↓ MOL2 SDF SMILES Flexibase

70195893

Analogs

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Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(2,6-dimethyl-3-pyridyl)methanone [(3R)-3-amino-3,4-dihydro-2H-qui…

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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)	1.13	5.55	-61.35	3	4	1	61	282.367	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.13	5.22	-9.91	2	4	0	59	281.359	1	↓ MOL2 SDF SMILES Flexibase

70195894

Analogs

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Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(2,6-dimethyl-3-pyridyl)methanone [(3S)-3-amino-3,4-dihydro-2H-qui…

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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)	1.13	5.39	-62.05	3	4	1	61	282.367	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.13	5.07	-9.29	2	4	0	59	281.359	1	↓ MOL2 SDF SMILES Flexibase

48795560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-pyridyl)methanone (7-fluoro-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)	2.49	6.96	-11.54	0	3	0	33	256.28	1	↓ MOL2 SDF SMILES Flexibase

37322824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic 1-(pyridine-3-carbonyl)-3,4-dihy…

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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)	2.23	7.42	-57.34	0	5	-1	73	281.291	2	↓ MOL2 SDF SMILES Flexibase

41865838

Analogs

37114451

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Popular Name: (5,6-dichloro-3-pyridyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (5,6-dichloro-3-pyridyl)-(5,7-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)	4.20	7.91	-7.79	0	3	0	33	343.16	1	↓ MOL2 SDF SMILES Flexibase

41866803

Analogs

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Popular Name: (5-bromo-3-pyridyl)-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone (5-bromo-3-pyridyl)-[6-(trifluor…

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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)	4.25	7.35	-8.85	0	4	0	42	401.182	3	↓ MOL2 SDF SMILES Flexibase

41867108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(dimethylamino)-3-pyridyl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone [6-(dimethylamino)-3-pyridyl]-[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)	3.74	8.26	-10.06	0	5	0	46	365.355	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.74	8.62	-40.53	1	5	1	47	366.363	4	↓ MOL2 SDF SMILES Flexibase

41967917

Analogs

41967918

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Popular Name: [(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-pyridyl)methanone [(4R)-4-methyl-3,4-dihydro-2H-qu…

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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)	2.42	7.35	-9.24	0	3	0	33	252.317	1	↓ MOL2 SDF SMILES Flexibase

41967918

Analogs

41967917

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Popular Name: [(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-pyridyl)methanone [(4S)-4-methyl-3,4-dihydro-2H-qu…

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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)	2.42	7.41	-9.58	0	3	0	33	252.317	1	↓ MOL2 SDF SMILES Flexibase

41968303

Analogs

41968304

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Popular Name: [(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-nitro-3-pyridyl)methanone [(4S)-4-methyl-3,4-dihydro-2H-qu…

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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)	2.92	8.86	-7.35	0	6	0	79	311.341	2	↓ MOL2 SDF SMILES Flexibase

41968304

Analogs

41968303

Draw Identity 99% 90% 80% 70%

Popular Name: [(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-nitro-3-pyridyl)methanone [(4R)-4-methyl-3,4-dihydro-2H-qu…

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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)	2.92	8.72	-7.21	0	6	0	79	311.341	2	↓ MOL2 SDF SMILES Flexibase

41968539

Analogs

41968540

Draw Identity 99% 90% 80% 70%

Popular Name: [(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridyl]methanone [(4R)-4-methyl-3,4-dihydro-2H-qu…

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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)	3.70	7.75	-15.63	0	4	0	42	350.34	4	↓ MOL2 SDF SMILES Flexibase

41968540

Analogs

41968539

Draw Identity 99% 90% 80% 70%

Popular Name: [(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridyl]methanone [(4S)-4-methyl-3,4-dihydro-2H-qu…

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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)	3.70	8.2	-15.84	0	4	0	42	350.34	4	↓ MOL2 SDF SMILES Flexibase

42254123

Analogs

42254127

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-3-pyridyl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone (5-bromo-3-pyridyl)-[(2R)-2-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)	3.63	7.91	-5.62	0	3	0	33	331.213	1	↓ MOL2 SDF SMILES Flexibase

42254127

Analogs

42254123

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-3-pyridyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone (5-bromo-3-pyridyl)-[(2S)-2-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)	3.63	7.75	-5.51	0	3	0	33	331.213	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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