ZINC 12

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)	3.12	7.46	-10.52	2	4	0	56	302.399	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.12	7.26	-48.15	3	4	1	57	303.407	2	↓ MOL2 SDF SMILES Flexibase

40335441

Analogs

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Popular Name: (3-amino-2-thienyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (3-amino-2-thienyl)-(8-methoxy-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)	2.90	6.67	-10.54	2	4	0	56	288.372	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.90	6.58	-37.37	3	4	1	57	289.38	2	↓ MOL2 SDF SMILES Flexibase

51171050

Analogs

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Popular Name: (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-chloro-2-thienyl)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)	3.34	6.28	-8.9	2	3	0	46	292.791	1	↓ MOL2 SDF SMILES Flexibase

15940751

Analogs

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Popular Name: 3,4-dihydro-2H-quinolin-1-yl-(4-ethyl-5-methyl-2-thienyl)methanone 3,4-dihydro-2H-quinolin-1-yl-(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)	4.55	9.84	-10.32	0	2	0	20	285.412	2	↓ MOL2 SDF SMILES Flexibase

69187107

Analogs

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Popular Name: (5-ethyl-4-methyl-2-thienyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (5-ethyl-4-methyl-2-thienyl)-(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)	5.08	10.56	-10.15	0	2	0	20	299.439	2	↓ MOL2 SDF SMILES Flexibase

69187157

Analogs

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Popular Name: (4-ethyl-5-methyl-2-thienyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (4-ethyl-5-methyl-2-thienyl)-(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)	4.97	10.51	-10.46	0	2	0	20	299.439	2	↓ MOL2 SDF SMILES Flexibase

67171807

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)	4.30	9.22	-10.74	0	4	0	47	353.802	3	↓ MOL2 SDF SMILES Flexibase

70194636

Analogs

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Popular Name: (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-nitro-2-thienyl)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)	2.62	6.55	-10.07	2	6	0	92	303.343	2	↓ MOL2 SDF SMILES Flexibase

70194709

Analogs

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Popular Name: (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-ethyl-2-thienyl)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	6.97	-9.6	2	3	0	46	286.4	2	↓ MOL2 SDF SMILES Flexibase

70195521

Analogs

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Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(2-thienyl)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)	1.83	5.01	-63.65	3	3	1	48	259.354	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.83	4.69	-9.21	2	3	0	46	258.346	1	↓ MOL2 SDF SMILES Flexibase

70195522

Analogs

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Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(2-thienyl)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)	1.83	4.94	-63.86	3	3	1	48	259.354	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.83	4.62	-9.45	2	3	0	46	258.346	1	↓ MOL2 SDF SMILES Flexibase

70195547

Analogs

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Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(5-ethyl-2-thienyl)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)	2.62	6.58	-63.33	3	3	1	48	287.408	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.62	6.26	-9.24	2	3	0	46	286.4	2	↓ MOL2 SDF SMILES Flexibase

70195548

Analogs

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Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(5-ethyl-2-thienyl)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)	2.62	6.54	-63.63	3	3	1	48	287.408	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.62	6.21	-8.84	2	3	0	46	286.4	2	↓ MOL2 SDF SMILES Flexibase

70195561

Analogs

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Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(3-bromo-2-thienyl)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)	2.56	5.65	-66.42	3	3	1	48	338.25	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.56	5.33	-10.03	2	3	0	46	337.242	1	↓ MOL2 SDF SMILES Flexibase

70195562

Analogs

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Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(3-bromo-2-thienyl)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)	2.56	5.54	-65.61	3	3	1	48	338.25	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.56	5.22	-10.06	2	3	0	46	337.242	1	↓ MOL2 SDF SMILES Flexibase

70195575

Analogs

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Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(3-methyl-2-thienyl)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)	2.20	5.67	-62.13	3	3	1	48	273.381	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.20	5.35	-8.86	2	3	0	46	272.373	1	↓ MOL2 SDF SMILES Flexibase

70195576

Analogs

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Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(3-methyl-2-thienyl)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)	2.20	5.59	-61.3	3	3	1	48	273.381	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.20	5.26	-8.52	2	3	0	46	272.373	1	↓ MOL2 SDF SMILES Flexibase

70195641

Analogs

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Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(5-nitro-2-thienyl)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)	1.91	5.91	-65.98	3	6	1	94	304.351	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.91	5.59	-8.24	2	6	0	92	303.343	2	↓ MOL2 SDF SMILES Flexibase

70195642

Analogs

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Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(5-nitro-2-thienyl)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)	1.91	5.85	-66.28	3	6	1	94	304.351	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.91	5.53	-8.8	2	6	0	92	303.343	2	↓ MOL2 SDF SMILES Flexibase

70195707

Analogs

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Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(5-methyl-2-thienyl)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)	2.05	5.8	-63.48	3	3	1	48	273.381	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.05	5.49	-9.59	2	3	0	46	272.373	1	↓ MOL2 SDF SMILES Flexibase

70195708

Analogs

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Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(5-methyl-2-thienyl)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)	2.05	5.75	-63.76	3	3	1	48	273.381	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.05	5.44	-9.18	2	3	0	46	272.373	1	↓ MOL2 SDF SMILES Flexibase

70195743

Analogs

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Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(5-bromo-2-thienyl)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)	2.76	5.74	-61.65	3	3	1	48	338.25	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.76	5.42	-7	2	3	0	46	337.242	1	↓ MOL2 SDF SMILES Flexibase

70195744

Analogs

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Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(5-bromo-2-thienyl)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)	2.76	5.66	-61.95	3	3	1	48	338.25	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.76	5.35	-7.38	2	3	0	46	337.242	1	↓ MOL2 SDF SMILES Flexibase

70195823

Analogs

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Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(5-chloro-2-thienyl)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)	2.63	5.64	-61.92	3	3	1	48	293.799	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.63	5.32	-7.05	2	3	0	46	292.791	1	↓ MOL2 SDF SMILES Flexibase

70195824

Analogs

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Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(5-chloro-2-thienyl)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)	2.63	5.55	-62.16	3	3	1	48	293.799	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.63	5.25	-7.45	2	3	0	46	292.791	1	↓ MOL2 SDF SMILES Flexibase

70195847

Analogs

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Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(3-ethyl-2-thienyl)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)	2.67	6.42	-61.68	3	3	1	48	287.408	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.67	6.11	-8.62	2	3	0	46	286.4	2	↓ MOL2 SDF SMILES Flexibase

70195848

Analogs

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Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(3-ethyl-2-thienyl)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)	2.67	6.32	-60.61	3	3	1	48	287.408	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.67	6	-8.03	2	3	0	46	286.4	2	↓ MOL2 SDF SMILES Flexibase

48795456

Analogs

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Popular Name: (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(5-ethyl-2-thienyl)methanone (6-chloro-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)	4.93	9.82	-8.89	0	2	0	20	305.83	2	↓ MOL2 SDF SMILES Flexibase

48795465

Analogs

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Popular Name: (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(4,5-dimethyl-2-thienyl)methanone (6-chloro-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)	4.74	9.64	-9.33	0	2	0	20	305.83	1	↓ MOL2 SDF SMILES Flexibase

48795473

Analogs

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Popular Name: (3-bromo-2-thienyl)-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone (3-bromo-2-thienyl)-(6-chloro-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)	4.87	8.94	-10.54	0	2	0	20	356.672	1	↓ MOL2 SDF SMILES Flexibase

48795487

Analogs

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Popular Name: (6-isopropyl-3,4-dihydro-2H-quinolin-1-yl)-(2-thienyl)methanone (6-isopropyl-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)	4.97	9.7	-10.06	0	2	0	20	285.412	2	↓ MOL2 SDF SMILES Flexibase

48795513

Analogs

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Popular Name: (5-chloro-2-thienyl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (5-chloro-2-thienyl)-(6-fluoro-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)	4.42	8.49	-7.88	0	2	0	20	295.766	1	↓ MOL2 SDF SMILES Flexibase

48795515

Analogs

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Popular Name: (4,5-dibromo-2-thienyl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (4,5-dibromo-2-thienyl)-(6-fluor…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.29	9.19	-8.51	0	2	0	20	419.113	1	↓ MOL2 SDF SMILES Flexibase

48795547

Analogs

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Popular Name: (3-bromo-2-thienyl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (3-bromo-2-thienyl)-(6-fluoro-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)	4.36	8.5	-11.12	0	2	0	20	340.217	1	↓ MOL2 SDF SMILES Flexibase

48795566

Analogs

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Popular Name: (4,5-dibromo-2-thienyl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (4,5-dibromo-2-thienyl)-(7-fluor…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.29	9.18	-11.09	0	2	0	20	419.113	1	↓ MOL2 SDF SMILES Flexibase

48795574

Analogs

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Popular Name: (5-ethyl-2-thienyl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (5-ethyl-2-thienyl)-(7-fluoro-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)	4.42	9.37	-12.25	0	2	0	20	289.375	2	↓ MOL2 SDF SMILES Flexibase

48795583

Analogs

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Popular Name: (4,5-dimethyl-2-thienyl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (4,5-dimethyl-2-thienyl)-(7-fluo…

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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)	4.22	9.2	-12.74	0	2	0	20	289.375	1	↓ MOL2 SDF SMILES Flexibase

48796847

Analogs

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Popular Name: (7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-thienyl)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)	4.00	8.43	-11.69	0	2	0	20	275.348	1	↓ MOL2 SDF SMILES Flexibase

48938597

Analogs

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Popular Name: (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(3-ethyl-2-thienyl)methanone (6-chloro-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)	4.98	9.61	-8.02	0	2	0	20	305.83	2	↓ MOL2 SDF SMILES Flexibase

48938635

Analogs

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Popular Name: (3-ethyl-2-thienyl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (3-ethyl-2-thienyl)-(6-fluoro-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)	4.47	9.17	-8.49	0	2	0	20	289.375	2	↓ MOL2 SDF SMILES Flexibase

48938649

Analogs

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Popular Name: (3-ethyl-2-thienyl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (3-ethyl-2-thienyl)-(7-fluoro-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)	4.47	9.17	-11.12	0	2	0	20	289.375	2	↓ MOL2 SDF SMILES Flexibase

48941138

Analogs

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Popular Name: (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(3-ethyl-2-thienyl)methanone (6-bromo-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)	5.11	9.72	-7.92	0	2	0	20	350.281	2	↓ MOL2 SDF SMILES Flexibase

49316132

Analogs

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Popular Name: (3-ethyl-2-thienyl)-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone (3-ethyl-2-thienyl)-[(4S)-4-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)	4.40	9.55	-8.6	0	2	0	20	285.412	2	↓ MOL2 SDF SMILES Flexibase

49316134

Analogs

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Popular Name: (3-ethyl-2-thienyl)-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone (3-ethyl-2-thienyl)-[(4R)-4-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)	4.40	9.68	-9.02	0	2	0	20	285.412	2	↓ MOL2 SDF SMILES Flexibase

49316189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-ethyl-2-thienyl)-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone (5-ethyl-2-thienyl)-[(4S)-4-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)	4.36	9.77	-9.65	0	2	0	20	285.412	2	↓ MOL2 SDF SMILES Flexibase

49316191

Analogs

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Popular Name: (5-ethyl-2-thienyl)-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone (5-ethyl-2-thienyl)-[(4R)-4-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)	4.36	9.83	-9.63	0	2	0	20	285.412	2	↓ MOL2 SDF SMILES Flexibase

37322782

Analogs

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Popular Name: 1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic 1-(3-methylthiophene-2-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)	3.75	8.89	-57.66	0	4	-1	60	300.359	2	↓ MOL2 SDF SMILES Flexibase

37322789

Analogs

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Popular Name: 1-(5-bromothiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic 1-(5-bromothiophene-2-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)	4.30	9.04	-54.79	0	4	-1	60	365.228	2	↓ MOL2 SDF SMILES Flexibase

49525380

Analogs

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Popular Name: 3,4-dihydro-2H-quinolin-1-yl-(4,5-dimethyl-2-thienyl)methanone 3,4-dihydro-2H-quinolin-1-yl-(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)	4.08	9.13	-10.42	0	2	0	20	271.385	1	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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