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)	2.49	7.48	-6.73	0	0	0	0	180.344	0	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.49	8.03	-24.32	0	0	-1	0	179.336	0	↓ MOL2 SDF SMILES Flexibase

12402525

Analogs

6167666

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Popular Name: [(dimethyl-oxo-thioxo-BLAHylidene)amino]thiourea [(dimethyl-oxo-thioxo-BLAHyliden…

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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)	3.40	9.54	-15.01	3	5	0	72	392.556	2	↓ MOL2 SDF SMILES Flexibase

22705989

Analogs

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Popular Name: [4,4-dimethyl-5-[(2R)-2-methylbutanoyl]-1-thioxo-dithiolo[3,4-c]quinolin-8-yl] [4,4-dimethyl-5-[(2R)-2-methylbu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.05	15.98	-14	0	4	0	47	469.653	5	↓ MOL2 SDF SMILES Flexibase

22705993

Analogs

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Popular Name: [4,4-dimethyl-5-[(2S)-2-methylbutanoyl]-1-thioxo-dithiolo[3,4-c]quinolin-8-yl] [4,4-dimethyl-5-[(2S)-2-methylbu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.05	16.16	-14.4	0	4	0	47	469.653	5	↓ MOL2 SDF SMILES Flexibase

22740889

Analogs

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Popular Name: (dimethyl-oxo-thioxo-spiro[1,3-dioxolane-2,BLAH'-BLAH]yl) (dimethyl-oxo-thioxo-spiro[1,3-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)	5.06	12.44	-16.42	0	6	0	65	483.592	3	↓ MOL2 SDF SMILES Flexibase

59416220

Analogs

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Popular Name: 8-chloro-4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione 8-chloro-4,4-dimethyl-5H-dithiol…

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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	8.5	-12.69	1	1	0	12	299.873	0	↓ MOL2 SDF SMILES Flexibase

1784718

Analogs

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Popular Name: 1-(8-ethoxy-4,4-dimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)-2-(2-thiazolin-2-ylthio)ethanone 1-(8-ethoxy-4,4-dimethyl-1-thiox…

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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)	4.81	11.22	-13.75	0	4	0	42	468.716	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.81	12.23	-46.68	1	4	1	44	469.724	5	↓ MOL2 SDF SMILES Flexibase

1785786

Analogs

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Popular Name: (4-tert-butylphenyl)-(4,4,7-trimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)methanone (4-tert-butylphenyl)-(4,4,7-trim…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.42	1.08	-6.99	0	2	0	20	439.671	2	↓ MOL2 SDF SMILES Flexibase

1788585

Analogs

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Popular Name: 2-methoxy-7,7-dimethyl-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione 2-methoxy-7,7-dimethyl-10-thioxo…

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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)	3.12	-0.97	-9.76	0	4	0	48	349.458	1	↓ MOL2 SDF SMILES Flexibase

1791008

Analogs

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Popular Name: 2-[2-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione 2-[2-(8-ethoxy-4,4-dimethyl-1-th…

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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)	5.20	1	-17.26	0	6	0	68	496.635	4	↓ MOL2 SDF SMILES Flexibase

2079849

Analogs

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Popular Name: 8-ethoxy-5-[3-(4-methoxyphenyl)acryloyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 8-ethoxy-5-[3-(4-methoxyphenyl)a…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.39	1.8	-11.86	0	4	0	38	469.653	5	↓ MOL2 SDF SMILES Flexibase

2079851

Analogs

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Popular Name: (E)-3-(4-methoxyphenyl)-1-(4,4,6-trimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one (E)-3-(4-methoxyphenyl)-1-(4,4,6…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.38	0.12	-8.86	0	3	0	29	439.627	3	↓ MOL2 SDF SMILES Flexibase

2080258

Analogs

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Popular Name: 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 8-chloro-5-(4-ethoxybenzoyl)-4,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.38	1.15	-7.85	0	3	0	29	448.034	3	↓ MOL2 SDF SMILES Flexibase

2080832

Analogs

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Popular Name: 7-ethoxy-4,4-dimethyl-5-(1-naphthoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 7-ethoxy-4,4-dimethyl-5-(1-napht…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.86	-0.23	-9.35	1	0	0	29	463.649	3	↓ MOL2 SDF SMILES Flexibase

2080833

Analogs

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Popular Name: 4,4,8-trimethyl-5-(2-naphthoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 4,4,8-trimethyl-5-(2-naphthoyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.90	1.67	-7.86	1	0	0	20	433.623	2	↓ MOL2 SDF SMILES Flexibase

2080845

Analogs

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Popular Name: 4,4,7-trimethyl-5-(2-naphthoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 4,4,7-trimethyl-5-(2-naphthoyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.90	0.04	-7.84	1	0	0	20	433.623	2	↓ MOL2 SDF SMILES Flexibase

2080850

Analogs

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Popular Name: 8-chloro-5-[(2-ethoxyphenoxy)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 8-chloro-5-[(2-ethoxyphenoxy)ace…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.90	1.51	-14.66	1	0	0	38	478.06	4	↓ MOL2 SDF SMILES Flexibase

2080851

Analogs

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Popular Name: phenyl (8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)acetate phenyl (8-methoxy-4,4-dimethyl-1…

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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)	5.26	-0.56	-19.6	1	0	0	38	429.588	4	↓ MOL2 SDF SMILES Flexibase

2080856

Analogs

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Popular Name: 8-tert-butyl-4,4-dimethyl-5-(4-methylbenzoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 8-tert-butyl-4,4-dimethyl-5-(4-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.42	2.74	-7.23	1	0	0	20	439.671	2	↓ MOL2 SDF SMILES Flexibase

2080861

Analogs

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Popular Name: 2-[2-(7-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione 2-[2-(7-methoxy-4,4-dimethyl-1-t…

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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)	4.82	-0.59	-23.91	0	0	0	68	482.608	6	↓ MOL2 SDF SMILES Flexibase

2080863

Analogs

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Popular Name: 8-tert-butyl-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 8-tert-butyl-5-(4-ethoxybenzoyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.40	2.47	-7.36	1	0	0	29	469.697	3	↓ MOL2 SDF SMILES Flexibase

2085944

Analogs

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Popular Name: 5-[(3-chloro-1-benzothien-2-yl)carbonyl]-4,4,7-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 5-[(3-chloro-1-benzothien-2-yl)c…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.53	0.66	-9.46	0	2	0	20	474.097	1	↓ MOL2 SDF SMILES Flexibase

2085970

Analogs

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Popular Name: 5-[(3-chloro-1-benzothien-2-yl)carbonyl]-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 5-[(3-chloro-1-benzothien-2-yl)c…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.13	0.37	-11.26	0	3	0	29	490.096	2	↓ MOL2 SDF SMILES Flexibase

2085971

Analogs

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Popular Name: 5-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4,4,6,8-tetramethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 5-[(1,3-benzoxazol-2-ylsulfanyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.52	0.43	-15.79	0	4	0	46	484.693	3	↓ MOL2 SDF SMILES Flexibase

2085972

Analogs

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Popular Name: 4,4,7-trimethyl-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 4,4,7-trimethyl-5-{[(4-methyl-4H…

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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)	4.07	14.2	-19.46	0	5	0	51	434.637	3	↓ MOL2 SDF SMILES Flexibase

2086407

Analogs

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Popular Name: 5-[(3-chloro-1-benzothien-2-yl)carbonyl]-7-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 5-[(3-chloro-1-benzothien-2-yl)c…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.13	0.34	-10.28	0	3	0	29	490.096	2	↓ MOL2 SDF SMILES Flexibase

2091960

Analogs

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Popular Name: 5-(2-ethoxybenzoyl)-8-fluoro-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 5-(2-ethoxybenzoyl)-8-fluoro-4,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.36	2.39	-10.62	0	3	0	29	431.579	3	↓ MOL2 SDF SMILES Flexibase

2092154

Analogs

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Popular Name: 2-[2-(8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione 2-[2-(8-methoxy-4,4-dimethyl-1-t…

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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)	4.82	-0.65	-17.33	0	6	0	68	482.608	3	↓ MOL2 SDF SMILES Flexibase

2092164

Analogs

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Popular Name: 7-fluoro-4,4-dimethyl-5-(3-methylbenzoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 7-fluoro-4,4-dimethyl-5-(3-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)	5.85	2.28	-6.33	0	2	0	20	401.553	1	↓ MOL2 SDF SMILES Flexibase

2092171

Analogs

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Popular Name: 2-[2-(6-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione 2-[2-(6-methoxy-4,4-dimethyl-1-t…

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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)	4.80	0.24	-22.13	0	6	0	68	482.608	3	↓ MOL2 SDF SMILES Flexibase

2092200

Analogs

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Popular Name: 8-fluoro-4,4-dimethyl-5-(3-methylbenzoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 8-fluoro-4,4-dimethyl-5-(3-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)	5.85	2.29	-8.33	0	2	0	20	401.553	1	↓ MOL2 SDF SMILES Flexibase

2092373

Analogs

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Popular Name: 5-(4-fluorobenzoyl)-4,4,7,8-tetramethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 5-(4-fluorobenzoyl)-4,4,7,8-tetr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.25	0.92	-6.82	0	2	0	20	415.58	1	↓ MOL2 SDF SMILES Flexibase

2092456

Analogs

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Popular Name: 5-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 5-[(1,3-benzoxazol-2-ylsulfanyl)…

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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)	5.71	-1.49	-11.68	0	4	0	46	456.639	3	↓ MOL2 SDF SMILES Flexibase

2092458

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Popular Name: 5-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 5-[(1,3-benzoxazol-2-ylsulfanyl)…

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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)	5.75	-1.52	-19.13	0	5	0	55	486.665	4	↓ MOL2 SDF SMILES Flexibase

2092461

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Popular Name: 5-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4,4,7,8-tetramethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 5-[(1,3-benzothiazol-2-ylsulfany…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.16	0.92	-19.7	0	3	0	33	500.761	3	↓ MOL2 SDF SMILES Flexibase

67225188

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Popular Name: (2,4,5-trimethoxyphenyl)-(4,4,8-trimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)methanone (2,4,5-trimethoxyphenyl)-(4,4,8-…

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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)	5.89	11.74	-12.73	0	5	0	48	473.641	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 38908
filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 38908 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', {
        "ring.id": "38908"        

    });
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