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ZINC Item

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13253517

Analogs

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Popular Name: 4-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b] 4-[[5-[(2-chlorophenoxy)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)	3.89	4.37	-50.28	1	8	-1	121	462.916	7	↓ MOL2 SDF SMILES Flexibase

13253643

Analogs

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Popular Name: 4-[(4-allyl-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4 4-[(4-allyl-5-oxo-[1,2,4]triazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.89	11.79	-52.26	1	9	-1	125	478.535	6	↓ MOL2 SDF SMILES Flexibase

13253730

Analogs

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Popular Name: 3-methyl-4-[[1-(o-tolyl)tetrazol-5-yl]sulfanylmethyl]-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxylic 3-methyl-4-[[1-(o-tolyl)tetrazol…

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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)	3.57	8.54	-48.32	1	8	-1	117	412.476	5	↓ MOL2 SDF SMILES Flexibase

13253769

Analogs

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Popular Name: 4-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4 4-[[4-(3-ethoxypropyl)-5-(4-pyri…

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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	9.8	-51.22	1	9	-1	126	484.583	10	↓ MOL2 SDF SMILES Flexibase

13253822

Analogs

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Popular Name: 4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-ca 4-[[1-(2,4-dimethylphenyl)tetraz…

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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)	3.99	9.21	-47.91	1	8	-1	117	426.503	5	↓ MOL2 SDF SMILES Flexibase

13253918

Analogs

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Popular Name: 4-[(6-ethylthieno[3,2-e]pyrimidin-4-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-car 4-[(6-ethylthieno[3,2-e]pyrimidi…

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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)	4.26	9.35	-47.05	1	6	-1	99	416.529	5	↓ MOL2 SDF SMILES Flexibase

13253971

Analogs

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Popular Name: 3-methyl-4-[(3-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-6- 3-methyl-4-[(3-methyl-4-oxo-5,6,…

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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)	4.35	10.11	-49.52	1	7	-1	108	472.593	4	↓ MOL2 SDF SMILES Flexibase

13254022

Analogs

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Popular Name: 4-[[5-(2-fluorophenyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b] 4-[[5-(2-fluorophenyl)-4-isobuty…

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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)	5.18	11.99	-56.12	1	7	-1	104	471.559	7	↓ MOL2 SDF SMILES Flexibase

13254266

Analogs

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Popular Name: 4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine 4-[[5-(4-methoxyphenyl)-1,3,4-ox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.03	3.57	-48.44	1	8	-1	121	428.471	6	↓ MOL2 SDF SMILES Flexibase

13254340

Analogs

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Popular Name: 4-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridin 4-[[4-benzyl-5-(2-thienyl)-1,2,4…

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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)	5.32	12.93	-51.38	1	7	-1	104	493.615	7	↓ MOL2 SDF SMILES Flexibase

13254377

Analogs

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Popular Name: 4-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine- 4-[[4-benzyl-5-(2-furyl)-1,2,4-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)	4.67	12.17	-51.95	1	8	-1	117	477.547	7	↓ MOL2 SDF SMILES Flexibase

13254423

Analogs

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Popular Name: 4-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2 4-[[4-ethyl-5-(2-furyl)-1,2,4-tr…

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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)	3.46	9.25	-51	1	8	-1	117	415.476	6	↓ MOL2 SDF SMILES Flexibase

13254463

Analogs

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Popular Name: 4-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine 4-[[4-ethyl-5-(2-thienyl)-1,2,4-…

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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)	4.10	10.13	-50.77	1	7	-1	104	431.544	6	↓ MOL2 SDF SMILES Flexibase

13254612

Analogs

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Popular Name: 4-[(3-butyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[ 4-[(3-butyl-5,6-dimethyl-4-oxo-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)	5.21	11.37	-48.86	1	7	-1	108	488.636	7	↓ MOL2 SDF SMILES Flexibase

13254690

Analogs

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Popular Name: 4-[(2,5-dichlorophenoxy)methyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxylic 4-[(2,5-dichlorophenoxy)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)	4.72	8.05	-43.25	1	5	-1	82	383.232	4	↓ MOL2 SDF SMILES Flexibase

13254715

Analogs

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Popular Name: 4-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxylic 4-[(1-ethylbenzimidazol-2-yl)sul…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.24	9.75	-49.31	1	6	-1	91	398.489	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.24	10.2	-53.17	2	6	0	92	399.497	5	↓ MOL2 SDF SMILES Flexibase

13254744

Analogs

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Popular Name: 3-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxylic 3-methyl-4-[(1-methylbenzimidazo…

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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)	3.86	8.84	-49.62	1	6	-1	91	384.462	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.86	9.29	-54.15	2	6	0	92	385.47	4	↓ MOL2 SDF SMILES Flexibase

13254827

Analogs

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Popular Name: 4-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]py 4-[[5-(4-chlorophenyl)-4-propyl-…

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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)	5.49	12.06	-49.15	1	7	-1	104	473.987	7	↓ MOL2 SDF SMILES Flexibase

13254858

Analogs

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Popular Name: 4-[[5-[(4-butylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]py 4-[[5-[(4-butylphenyl)amino]-1,3…

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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)	6.68	11.47	-49.28	2	7	-1	111	485.636	9	↓ MOL2 SDF SMILES Flexibase

13254877

Analogs

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Popular Name: 4-[(5-butylamino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-car 4-[(5-butylamino-1,3,4-thiadiazo…

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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)	4.11	7.01	-48	2	7	-1	111	409.538	8	↓ MOL2 SDF SMILES Flexibase

13255107

Analogs

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Popular Name: 4-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4- 4-[[4-isopropyl-5-(4-methoxyphen…

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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)	4.73	10.37	-51.17	1	8	-1	113	469.568	7	↓ MOL2 SDF SMILES Flexibase

13255326

Analogs

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Popular Name: 4-[(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-ca 4-[(1-benzyl-5-chloro-benzimidaz…

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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)	6.11	13.2	-49.81	1	6	-1	91	495.005	6	↓ MOL2 SDF SMILES Flexibase

13255495

Analogs

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Popular Name: 4-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-ca 4-[(4-allyl-5-phenyl-1,2,4-triaz…

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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)	4.58	11.27	-51.87	1	7	-1	104	437.526	7	↓ MOL2 SDF SMILES Flexibase

13255544

Analogs

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Popular Name: 4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine- 4-[(4-allyl-5-cyclohexyl-1,2,4-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)	4.46	11.69	-50.74	1	7	-1	104	443.574	7	↓ MOL2 SDF SMILES Flexibase

13255583

Analogs

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Popular Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]py 4-[[5-(4-chlorophenyl)-4-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)	4.62	10.48	-49.71	1	7	-1	104	445.933	5	↓ MOL2 SDF SMILES Flexibase

13255664

Analogs

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Popular Name: 4-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxylic 4-[(1-hexylbenzimidazol-2-yl)sul…

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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)	6.31	12.84	-48.82	1	6	-1	91	454.597	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.31	13.29	-53.32	2	6	0	92	455.605	9	↓ MOL2 SDF SMILES Flexibase

13255759

Analogs

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Popular Name: 3-methyl-4-[[4-[(1S,2R)-2-methylcyclohexyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-oxo-7 3-methyl-4-[[4-[(1S,2R)-2-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)	5.01	10.67	-52.53	1	8	-1	117	494.622	6	↓ MOL2 SDF SMILES Flexibase

13255761

Analogs

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Popular Name: 3-methyl-4-[[4-[(1S,2S)-2-methylcyclohexyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-oxo-7 3-methyl-4-[[4-[(1S,2S)-2-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)	5.01	12.1	-53	1	8	-1	117	494.622	6	↓ MOL2 SDF SMILES Flexibase

13255763

Analogs

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Popular Name: 3-methyl-4-[[4-[(1R,2R)-2-methylcyclohexyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-oxo-7 3-methyl-4-[[4-[(1R,2R)-2-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)	5.01	12.07	-51.64	1	8	-1	117	494.622	6	↓ MOL2 SDF SMILES Flexibase

13255765

Analogs

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Popular Name: 3-methyl-4-[[4-[(1R,2S)-2-methylcyclohexyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-oxo-7 3-methyl-4-[[4-[(1R,2S)-2-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)	5.01	10.53	-52.18	1	8	-1	117	494.622	6	↓ MOL2 SDF SMILES Flexibase

13256021

Analogs

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Popular Name: 4-[[4-(diethylsulfamoyl)-2-nitro-phenoxy]methyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxyli 4-[[4-(diethylsulfamoyl)-2-nitro…

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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)	3.39	8.04	-51.74	1	11	-1	165	494.527	9	↓ MOL2 SDF SMILES Flexibase

13256058

Analogs

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Popular Name: 3-methyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-6-oxo-7H-thieno[5,4-b]pyridine-2-carb 3-methyl-4-[(2-nitro-4-pyrrolidi…

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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)	3.04	7.48	-52.15	1	11	-1	165	492.511	7	↓ MOL2 SDF SMILES Flexibase

13256080

Analogs

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Popular Name: 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxy 4-[(6-methoxy-1H-benzimidazol-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)	3.82	6.46	-48.35	2	7	-1	111	400.461	5	↓ MOL2 SDF SMILES Flexibase

13256106

Analogs

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Popular Name: 4-[(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2 4-[(3-allyl-7-chloro-4-oxo-quina…

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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)	4.71	10.4	-46.32	1	7	-1	108	472.955	6	↓ MOL2 SDF SMILES Flexibase

13256172

Analogs

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Popular Name: 4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-ca 4-[[1-(4-ethoxyphenyl)benzimidaz…

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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)	5.57	12.48	-50.74	1	7	-1	100	490.586	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.57	12.95	-54.41	2	7	0	101	491.594	7	↓ MOL2 SDF SMILES Flexibase

13256250

Analogs

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Popular Name: 4-[(1-isobutylbenzimidazol-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxylic 4-[(1-isobutylbenzimidazol-2-yl)…

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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	10.68	-49.4	1	6	-1	91	426.543	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.98	11.35	-53.62	2	6	0	92	427.551	6	↓ MOL2 SDF SMILES Flexibase

13256278

Analogs

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Popular Name: 4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyr 4-[[5-(4-chlorophenyl)-4-ethyl-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)	4.99	11.31	-49.71	1	7	-1	104	459.96	6	↓ MOL2 SDF SMILES Flexibase

13256315

Analogs

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Popular Name: 4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-ca 4-[[1-(2-methoxyethyl)benzimidaz…

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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)	3.84	8.8	-48.76	1	7	-1	100	428.515	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.84	9.25	-54.11	2	7	0	101	429.523	7	↓ MOL2 SDF SMILES Flexibase

13256346

Analogs

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Popular Name: 3-methyl-6-oxo-4-(4H-[1,2,4]triazolo[5,4-b]benzimidazol-1-ylsulfanylmethyl)-7H-thieno[5,4-b]pyridine 3-methyl-6-oxo-4-(4H-[1,2,4]tria…

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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)	3.62	11.1	-53.58	2	8	-1	119	410.46	4	↓ MOL2 SDF SMILES Flexibase

13256405

Analogs

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Popular Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-ca 4-[(4-ethyl-5-phenyl-1,2,4-triaz…

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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)	4.31	10.79	-51.66	1	7	-1	104	425.515	6	↓ MOL2 SDF SMILES Flexibase

13256478

Analogs

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Popular Name: 4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4 4-[[4-cyclopropyl-5-(2-fluorophe…

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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	11.42	-56.86	1	7	-1	104	455.516	6	↓ MOL2 SDF SMILES Flexibase

13256504

Analogs

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Popular Name: 3-methyl-4-[[(7R)-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4-yl]sulfanylmethyl]-6-o 3-methyl-4-[[(7R)-7-methyl-5,6,7…

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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	10.73	-47.28	1	6	-1	99	456.594	4	↓ MOL2 SDF SMILES Flexibase

13256505

Analogs

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Popular Name: 3-methyl-4-[[(7S)-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4-yl]sulfanylmethyl]-6-o 3-methyl-4-[[(7S)-7-methyl-5,6,7…

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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	10.73	-47.3	1	6	-1	99	456.594	4	↓ MOL2 SDF SMILES Flexibase

13256613

Analogs

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Popular Name: 4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyr 4-[[5-(2-methoxyethylamino)-1,3,…

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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)	2.66	4.55	-49.42	2	8	-1	120	411.51	8	↓ MOL2 SDF SMILES Flexibase

13260000

Analogs

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Popular Name: 3-methyl-4-[[2-methyl-5-(2-thienyl)thieno[3,2-e]pyrimidin-4-yl]sulfanylmethyl]-6-oxo-7H-thieno[5,4-b 3-methyl-4-[[2-methyl-5-(2-thien…

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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	10.08	-48.38	1	6	-1	99	484.629	5	↓ MOL2 SDF SMILES Flexibase

13260096

Analogs

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Popular Name: 4-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]py 4-[[5-(2-chlorophenyl)-4-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)	4.57	10.47	-52.34	1	7	-1	104	445.933	5	↓ MOL2 SDF SMILES Flexibase

13260213

Analogs

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Popular Name: 4-[(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridin 4-[(6-chloro-3-isobutyl-4-oxo-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)	5.19	10.66	-46.55	1	7	-1	108	488.998	6	↓ MOL2 SDF SMILES Flexibase

13260341

Analogs

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Popular Name: 4-[(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2 4-[(3-allyl-6-chloro-4-oxo-quina…

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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)	4.71	10.39	-46.84	1	7	-1	108	472.955	6	↓ MOL2 SDF SMILES Flexibase

13403783

Analogs

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Popular Name: 3-methyl-4-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-oxo-7H-thieno[5,4-b]pyrid 3-methyl-4-[[5-morpholino-4-(o-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)	3.98	12.59	-51.51	1	9	-1	116	496.594	6	↓ MOL2 SDF SMILES Flexibase

13403900

Analogs

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Popular Name: 3-methyl-4-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-oxo-7H-thieno[5,4-b]pyrid 3-methyl-4-[[5-morpholino-4-(m-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)	4.00	12.62	-51.79	1	9	-1	116	496.594	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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