ZINC 12

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ZINC Item

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48629103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(R)-hydroxy-[(3R)-tetrahydrof…

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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)	1.28	2.15	-8.94	2	4	0	59	247.294	2	↓ MOL2 SDF SMILES Flexibase

48629105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(S)-hydroxy-[(3R)-tetrahydrof…

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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)	1.28	1.91	-9.25	2	4	0	59	247.294	2	↓ MOL2 SDF SMILES Flexibase

48629107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(R)-hydroxy-[(3S)-tetrahydrof…

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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)	1.28	2	-9.48	2	4	0	59	247.294	2	↓ MOL2 SDF SMILES Flexibase

48629109

Analogs

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Popular Name: 6-[(S)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(S)-hydroxy-[(3S)-tetrahydrof…

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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)	1.28	2.24	-9.38	2	4	0	59	247.294	2	↓ MOL2 SDF SMILES Flexibase

48629400

Analogs

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Popular Name: 7-fluoro-6-[(R)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one 7-fluoro-6-[(R)-hydroxy-[(3R)-te…

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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)	1.37	2.27	-9.05	2	4	0	59	265.284	2	↓ MOL2 SDF SMILES Flexibase

48629402

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-6-[(S)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one 7-fluoro-6-[(S)-hydroxy-[(3R)-te…

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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)	1.37	1.9	-11.3	2	4	0	59	265.284	2	↓ MOL2 SDF SMILES Flexibase

48629404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-6-[(R)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one 7-fluoro-6-[(R)-hydroxy-[(3S)-te…

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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)	1.37	1.95	-11.05	2	4	0	59	265.284	2	↓ MOL2 SDF SMILES Flexibase

48629405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-6-[(S)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one 7-fluoro-6-[(S)-hydroxy-[(3S)-te…

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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)	1.37	2.38	-9.31	2	4	0	59	265.284	2	↓ MOL2 SDF SMILES Flexibase

48629757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(R)-chloro-[(3R)-tetrahydrofu…

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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	5.33	-8.78	1	3	0	38	265.74	2	↓ MOL2 SDF SMILES Flexibase

48629758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(S)-chloro-[(3R)-tetrahydrofu…

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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	5.31	-9.11	1	3	0	38	265.74	2	↓ MOL2 SDF SMILES Flexibase

48629759

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(R)-chloro-[(3S)-tetrahydrofu…

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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	5.28	-9.02	1	3	0	38	265.74	2	↓ MOL2 SDF SMILES Flexibase

48629760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(S)-chloro-[(3S)-tetrahydrofu…

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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	5.32	-9.49	1	3	0	38	265.74	2	↓ MOL2 SDF SMILES Flexibase

48629915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one 6-[(R)-chloro-[(3R)-tetrahydrofu…

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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)	2.74	5.36	-7.37	1	3	0	38	283.73	2	↓ MOL2 SDF SMILES Flexibase

48629916

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one 6-[(S)-chloro-[(3R)-tetrahydrofu…

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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)	2.74	5.38	-7.48	1	3	0	38	283.73	2	↓ MOL2 SDF SMILES Flexibase

48629917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one 6-[(R)-chloro-[(3S)-tetrahydrofu…

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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)	2.74	5.31	-10.83	1	3	0	38	283.73	2	↓ MOL2 SDF SMILES Flexibase

48629918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one 6-[(S)-chloro-[(3S)-tetrahydrofu…

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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)	2.74	5.42	-7.46	1	3	0	38	283.73	2	↓ MOL2 SDF SMILES Flexibase

48630128

Analogs

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Popular Name: 6-[(R)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(R)-bromo-[(3R)-tetrahydrofur…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.78	5.4	-8.45	1	3	0	38	310.191	2	↓ MOL2 SDF SMILES Flexibase

48630129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(S)-bromo-[(3R)-tetrahydrofur…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.78	5.39	-8.83	1	3	0	38	310.191	2	↓ MOL2 SDF SMILES Flexibase

48630130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(R)-bromo-[(3S)-tetrahydrofur…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.78	5.33	-8.74	1	3	0	38	310.191	2	↓ MOL2 SDF SMILES Flexibase

48630131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(S)-bromo-[(3S)-tetrahydrofur…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.78	5.4	-9.25	1	3	0	38	310.191	2	↓ MOL2 SDF SMILES Flexibase

48630284

Analogs

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Popular Name: 6-[(R)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one 6-[(R)-bromo-[(3R)-tetrahydrofur…

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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)	2.88	5.42	-7.23	1	3	0	38	328.181	2	↓ MOL2 SDF SMILES Flexibase

48630285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one 6-[(S)-bromo-[(3R)-tetrahydrofur…

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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)	2.88	5.44	-7.34	1	3	0	38	328.181	2	↓ MOL2 SDF SMILES Flexibase

48630286

Analogs

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Popular Name: 6-[(R)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one 6-[(R)-bromo-[(3S)-tetrahydrofur…

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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)	2.88	5.39	-10.41	1	3	0	38	328.181	2	↓ MOL2 SDF SMILES Flexibase

48630287

Analogs

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Popular Name: 6-[(S)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one 6-[(S)-bromo-[(3S)-tetrahydrofur…

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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)	2.88	5.48	-7.27	1	3	0	38	328.181	2	↓ MOL2 SDF SMILES Flexibase

62806401

Analogs

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Popular Name: 6-[(R)-amino-[(3S)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-[(3S)-tetrahydrofur…

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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)	-0.85	4.26	-54.21	3	4	1	57	261.345	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.85	3.95	-8.34	2	4	0	56	260.337	2	↓ MOL2 SDF SMILES Flexibase

62806402

Analogs

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Popular Name: 6-[(S)-amino-[(3S)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-[(3S)-tetrahydrofur…

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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)	-0.85	4.09	-58.82	3	4	1	57	261.345	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.85	3.75	-8.68	2	4	0	56	260.337	2	↓ MOL2 SDF SMILES Flexibase

62806403

Analogs

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Popular Name: 6-[(R)-amino-[(3R)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-[(3R)-tetrahydrofur…

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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)	-0.85	4.18	-60.52	3	4	1	57	261.345	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.85	3.86	-8.34	2	4	0	56	260.337	2	↓ MOL2 SDF SMILES Flexibase

62806404

Analogs

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Popular Name: 6-[(S)-amino-[(3R)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-[(3R)-tetrahydrofur…

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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)	-0.85	4.28	-56.73	3	4	1	57	261.345	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.85	3.95	-8.94	2	4	0	56	260.337	2	↓ MOL2 SDF SMILES Flexibase

62806527

Analogs

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Popular Name: 1-methyl-6-[(R)-methylamino-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydroquinolin-2-one 1-methyl-6-[(R)-methylamino-[(3S…

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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)	1.41	5.95	-48.62	2	4	1	46	275.372	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.41	4.88	-8.17	1	4	0	42	274.364	3	↓ MOL2 SDF SMILES Flexibase

62806528

Analogs

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Popular Name: 1-methyl-6-[(S)-methylamino-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydroquinolin-2-one 1-methyl-6-[(S)-methylamino-[(3S…

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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)	1.41	5.76	-52.93	2	4	1	46	275.372	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.41	4.65	-8.18	1	4	0	42	274.364	3	↓ MOL2 SDF SMILES Flexibase

62806529

Analogs

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Popular Name: 1-methyl-6-[(R)-methylamino-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydroquinolin-2-one 1-methyl-6-[(R)-methylamino-[(3R…

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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)	1.41	5.86	-54.49	2	4	1	46	275.372	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.41	4.7	-8.39	1	4	0	42	274.364	3	↓ MOL2 SDF SMILES Flexibase

62806530

Analogs

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Popular Name: 1-methyl-6-[(S)-methylamino-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydroquinolin-2-one 1-methyl-6-[(S)-methylamino-[(3R…

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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)	1.41	5.62	-54.94	2	4	1	46	275.372	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.41	5.36	-8.44	1	4	0	42	274.364	3	↓ MOL2 SDF SMILES Flexibase

62806611

Analogs

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Popular Name: 6-[(R)-ethylamino-[(3S)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-ethylamino-[(3S)-tetrahyd…

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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)	1.78	6.65	-49.94	2	4	1	46	289.399	4	↓ MOL2 SDF SMILES Flexibase

62806612

Analogs

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Popular Name: 6-[(S)-ethylamino-[(3S)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-ethylamino-[(3S)-tetrahyd…

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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)	1.78	6.47	-51.25	2	4	1	46	289.399	4	↓ MOL2 SDF SMILES Flexibase

62806613

Analogs

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Popular Name: 6-[(R)-ethylamino-[(3R)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-ethylamino-[(3R)-tetrahyd…

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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)	1.78	6.52	-52	2	4	1	46	289.399	4	↓ MOL2 SDF SMILES Flexibase

62806614

Analogs

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Popular Name: 6-[(S)-ethylamino-[(3R)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-ethylamino-[(3R)-tetrahyd…

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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)	1.78	6.75	-50.65	2	4	1	46	289.399	4	↓ MOL2 SDF SMILES Flexibase

62806854

Analogs

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Popular Name: 6-[(R)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-hydroxy-[(3R)-tetrahydrof…

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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)	0.85	3.89	-9.36	1	4	0	50	261.321	2	↓ MOL2 SDF SMILES Flexibase

62806855

Analogs

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Popular Name: 6-[(S)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-hydroxy-[(3R)-tetrahydrof…

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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)	0.85	3.65	-9.59	1	4	0	50	261.321	2	↓ MOL2 SDF SMILES Flexibase

62806856

Analogs

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Popular Name: 6-[(R)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-hydroxy-[(3S)-tetrahydrof…

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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)	0.85	3.75	-9.73	1	4	0	50	261.321	2	↓ MOL2 SDF SMILES Flexibase

62806857

Analogs

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Popular Name: 6-[(S)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-hydroxy-[(3S)-tetrahydrof…

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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)	0.85	3.97	-9.63	1	4	0	50	261.321	2	↓ MOL2 SDF SMILES Flexibase

62806930

Analogs

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Popular Name: 6-[(R)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-chloro-[(3R)-tetrahydrofu…

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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	7.07	-9.76	0	3	0	30	279.767	2	↓ MOL2 SDF SMILES Flexibase

62806931

Analogs

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Popular Name: 6-[(S)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-chloro-[(3R)-tetrahydrofu…

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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	7.05	-9.31	0	3	0	30	279.767	2	↓ MOL2 SDF SMILES Flexibase

62806932

Analogs

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Popular Name: 6-[(R)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-chloro-[(3S)-tetrahydrofu…

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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	7.02	-9.22	0	3	0	30	279.767	2	↓ MOL2 SDF SMILES Flexibase

62806933

Analogs

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Popular Name: 6-[(S)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-chloro-[(3S)-tetrahydrofu…

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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	7.06	-9.68	0	3	0	30	279.767	2	↓ MOL2 SDF SMILES Flexibase

62807082

Analogs

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Popular Name: 6-[(R)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-bromo-[(3R)-tetrahydrofur…

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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)	2.36	7.13	-9.45	0	3	0	30	324.218	2	↓ MOL2 SDF SMILES Flexibase

62807083

Analogs

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Popular Name: 6-[(S)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-bromo-[(3R)-tetrahydrofur…

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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)	2.36	7.13	-9.03	0	3	0	30	324.218	2	↓ MOL2 SDF SMILES Flexibase

62807084

Analogs

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Popular Name: 6-[(R)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-bromo-[(3S)-tetrahydrofur…

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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)	2.36	7.07	-8.93	0	3	0	30	324.218	2	↓ MOL2 SDF SMILES Flexibase

62807085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-bromo-[(3S)-tetrahydrofur…

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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)	2.36	7.15	-9.41	0	3	0	30	324.218	2	↓ 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

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 20701 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
<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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