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ZINC Item

Suppliers, Protomers, & Similar Substances

43608381

Analogs

43608384

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(2-furyl)methyl]propan-1-amine N-[(S)-5,6-dihydro-4H-cyclopenta…

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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)	3.97	8.85	-34.5	2	2	1	30	262.398	5	↓ MOL2 SDF SMILES Flexibase

43608384

Analogs

43608381

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(2-furyl)methyl]propan-1-amine N-[(R)-5,6-dihydro-4H-cyclopenta…

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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)	3.97	8.85	-34.58	2	2	1	30	262.398	5	↓ MOL2 SDF SMILES Flexibase

43608967

Analogs

51726376

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(5-methyl-2-furyl)methanone 5,6-dihydro-4H-cyclopenta[b]thio…

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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)	3.43	8.05	-7.75	0	2	0	30	232.304	2	↓ MOL2 SDF SMILES Flexibase

5778866

Analogs

5987263
6063771
6185563
6291136
5507638

Draw Identity 99% 90% 80% 70%

Popular Name: (8-carbamoyl-6-thiabicyclo[3.3.0]octa-7,9-dien-7-yl)carbamoylmethyl (8-carbamoyl-6-thiabicyclo[3.3.0…

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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)	3.55	-1.53	-12.8	3	6	0	98	406.548	7	↓ MOL2 SDF SMILES Flexibase

43609293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,5-dimethyl-3-furyl)methanone 5,6-dihydro-4H-cyclopenta[b]thio…

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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	8.51	-7.62	0	2	0	30	246.331	2	↓ MOL2 SDF SMILES Flexibase

6878235

Analogs

21622756

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino-6-thiabicyclo[3.3.0]octa-7,9-diene-8-carbox 7-[2-(3-ethyl-4-oxo-quinazolin-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)	2.34	-4.56	-17.29	3	7	0	107	428.539	6	↓ MOL2 SDF SMILES Flexibase

6878306

Analogs

39967625
39967626
2616564

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino-6-thiabicyclo[3.3.0]octa-7,9-diene- 7-[2-[(5-benzyl-4-ethyl-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)	2.81	-3.35	-17.59	3	7	0	102	441.582	8	↓ MOL2 SDF SMILES Flexibase

6878307

Analogs

39966553
39967809
39967812
3447919

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino-6-thiabicyclo[3.3.0]octa-7,9-diene- 7-[2-[(4-ethyl-5-phenyl-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)	2.86	-3.57	-17.51	3	7	0	102	427.555	7	↓ MOL2 SDF SMILES Flexibase

6878308

Analogs

39965520
39966184
39966397
39966398
39966399

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.25	0.41	-15.74	1	7	0	86	456.593	9	↓ MOL2 SDF SMILES Flexibase

49629794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide 5-bromo-N-(5,6-dihydro-4H-cyclop…

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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)	2.80	6.61	-6.62	1	3	0	42	337.242	3	↓ MOL2 SDF SMILES Flexibase

6879007

Analogs

40858841
42171643
42171645
5951013

Draw Identity 99% 90% 80% 70%

Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

Popular Name:

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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)	3.87	-0.51	-19.04	2	8	0	110	504.63	11	↓ MOL2 SDF SMILES Flexibase

61700888

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methyl-3-nitro-aniline N-(5,6-dihydro-4H-cyclopenta[b]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)	4.09	9.59	-8.35	1	4	0	58	288.372	4	↓ MOL2 SDF SMILES Flexibase

8486658

Analogs

Draw Identity 99% 90% 80% 70%

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)	3.20	2.01	-21.7	1	7	0	90	389.429	8	↓ MOL2 SDF SMILES Flexibase

9707300

Analogs

9707301
9707302
9707303
9707298
9707299

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	3.31	0.94	-16.81	1	8	0	99	441.509	7	↓ MOL2 SDF SMILES Flexibase

9707301

Analogs

9707302
9707303
9707298
9707299
9707300

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	3.31	1	-16.52	1	8	0	99	441.509	7	↓ MOL2 SDF SMILES Flexibase

10502110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzylsulfanyl-N-(8-cyano-6-thiabicyclo[3.3.0]octa-7,9-dien-7-yl)-propanamide 3-benzylsulfanyl-N-(8-cyano-6-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)	3.63	0.37	-8.47	1	3	0	52	342.489	6	↓ MOL2 SDF SMILES Flexibase

10505240

Analogs

14005030

Draw Identity 99% 90% 80% 70%

Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(3,5-dichlorobenzoyl)amino]thioxomethyl]amino]-5,6-dihydro-, methyl ester 4H-cyclopenta[b]thiophene-3-carb…

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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)	4.50	-0.32	-14.23	2	5	0	67	429.35	6	↓ MOL2 SDF SMILES Flexibase

10505243

Analogs

2281980

Draw Identity 99% 90% 80% 70%

Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(3,5-dichlorobenzoyl)amino]thioxomethyl]amino]-5,6-dihydro-, ethyl ester 4H-cyclopenta[b]thiophene-3-carb…

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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)	4.88	-0.35	-13.95	2	5	0	67	443.377	7	↓ MOL2 SDF SMILES Flexibase

10505594

Analogs

8563705

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3,5-dichloro-N-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(3-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)	4.43	0.01	-11.75	2	4	0	64	396.324	4	↓ MOL2 SDF SMILES Flexibase

10507984

Analogs

10507989

Draw Identity 99% 90% 80% 70%

Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2-(2-phenylethoxy)benzoyl]amino]-, methyl ester 4H-cyclopenta[b]thiophene-3-carb…

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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)	5.39	1.52	-13.49	1	5	0	64	421.518	8	↓ MOL2 SDF SMILES Flexibase

10507989

Analogs

10507984

Draw Identity 99% 90% 80% 70%

Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2-(2-phenylethoxy)benzoyl]amino]-, ethyl ester 4H-cyclopenta[b]thiophene-3-carb…

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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)	5.77	1.49	-13.31	1	5	0	64	435.545	9	↓ MOL2 SDF SMILES Flexibase

10509676

Analogs

10509682

Draw Identity 99% 90% 80% 70%

Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[[[2-(2-phenylethoxy)benzoyl]amino]thioxomethyl]amino]-, methyl e 4H-cyclopenta[b]thiophene-3-carb…

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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)	5.58	0.92	-18.96	2	6	0	76	480.611	10	↓ MOL2 SDF SMILES Flexibase

10509682

Analogs

10509676

Draw Identity 99% 90% 80% 70%

Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[[[2-(2-phenylethoxy)benzoyl]amino]thioxomethyl]amino]-, ethyl es 4H-cyclopenta[b]thiophene-3-carb…

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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)	5.96	0.89	-18.66	2	6	0	76	494.638	11	↓ MOL2 SDF SMILES Flexibase

10510310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(3-cyano-5,6-dihy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.50	1.25	-16.06	2	5	0	74	447.585	8	↓ MOL2 SDF SMILES Flexibase

20118125

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-K77492490-001-01-7 BRD-K77492490-001-01-7

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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)	3.44	6.61	-13.93	2	6	0	71	413.543	5	↓ MOL2 SDF SMILES Flexibase

32071536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]pyrazine-2-carboxylic 3-[(3-cyano-5,6-dihydro-4H-cyclo…

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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)	1.30	4.41	-58.04	1	7	-1	119	313.318	3	↓ MOL2 SDF SMILES Flexibase

40236004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone (5-bromo-2-thienyl)-(5,6-dihydro…

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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)	4.78	8.76	-5.17	0	1	0	17	313.241	2	↓ MOL2 SDF SMILES Flexibase

40236049

Analogs

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Popular Name: (R)-(5-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine (R)-(5-bromo-2-thienyl)-(5,6-dih…

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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)	4.29	6.87	-3.82	2	1	0	26	314.273	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.29	7.21	-44.02	3	1	1	28	315.281	2	↓ MOL2 SDF SMILES Flexibase

40236051

Analogs

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Popular Name: (S)-(5-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine (S)-(5-bromo-2-thienyl)-(5,6-dih…

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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)	4.29	6.87	-3.97	2	1	0	26	314.273	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.29	7.21	-44.08	3	1	1	28	315.281	2	↓ MOL2 SDF SMILES Flexibase

40236422

Analogs

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Popular Name: (1R)-1-(5-bromo-2-thienyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-methanamine (1R)-1-(5-bromo-2-thienyl)-1-(5,…

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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	8.96	-38.41	2	1	1	17	329.308	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.66	7.63	-3.98	1	1	0	12	328.3	3	↓ MOL2 SDF SMILES Flexibase

40236424

Analogs

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Popular Name: (1S)-1-(5-bromo-2-thienyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-methanamine (1S)-1-(5-bromo-2-thienyl)-1-(5,…

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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	8.97	-38.38	2	1	1	17	329.308	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.66	7.63	-3.76	1	1	0	12	328.3	3	↓ MOL2 SDF SMILES Flexibase

40236813

Analogs

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Popular Name: N-[(R)-(5-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine N-[(R)-(5-bromo-2-thienyl)-(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)	5.04	9.79	-36.64	2	1	1	17	343.335	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.04	8.56	-3.75	1	1	0	12	342.327	4	↓ MOL2 SDF SMILES Flexibase

40236815

Analogs

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Popular Name: N-[(S)-(5-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine N-[(S)-(5-bromo-2-thienyl)-(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)	5.04	9.8	-36.69	2	1	1	17	343.335	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.04	8.57	-3.52	1	1	0	12	342.327	4	↓ MOL2 SDF SMILES Flexibase

35367051

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Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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)	1.58	3.11	-9.99	4	4	0	75	302.399	4	↓ MOL2 SDF SMILES Flexibase

35367052

Analogs

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Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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)	1.58	3.2	-9.94	4	4	0	75	302.399	4	↓ MOL2 SDF SMILES Flexibase

35368425

Analogs

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Popular Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,5-dimethylphenyl)methanone 5,6-dihydro-4H-cyclopenta[b]thio…

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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)	4.77	10.37	-7.43	0	1	0	17	256.37	2	↓ MOL2 SDF SMILES Flexibase

35368439

Analogs

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Popular Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3,5,6-tetramethylphenyl)methanone 5,6-dihydro-4H-cyclopenta[b]thio…

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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)	5.53	11.34	-7.68	0	1	0	17	284.424	2	↓ MOL2 SDF SMILES Flexibase

35368454

Analogs

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Popular Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,5-dimethoxyphenyl)methanone 5,6-dihydro-4H-cyclopenta[b]thio…

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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	8.55	-11.13	0	3	0	36	288.368	4	↓ MOL2 SDF SMILES Flexibase

35368468

Analogs

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Popular Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3,4,5,6-pentamethylphenyl)methanone 5,6-dihydro-4H-cyclopenta[b]thio…

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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	11.82	-8.15	0	1	0	17	298.451	2	↓ MOL2 SDF SMILES Flexibase

35368482

Analogs

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Popular Name: (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone (2,5-difluorophenyl)-(5,6-dihydr…

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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)	4.21	8.82	-8.32	0	1	0	17	264.296	2	↓ MOL2 SDF SMILES Flexibase

35368494

Analogs

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Popular Name: 2,3-dihydro-1,4-benzodioxin-6-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone 2,3-dihydro-1,4-benzodioxin-6-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)	3.46	7.93	-8.36	0	3	0	36	286.352	2	↓ MOL2 SDF SMILES Flexibase

35368512

Analogs

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Popular Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,4,6-trimethylphenyl)methanone 5,6-dihydro-4H-cyclopenta[b]thio…

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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)	5.15	10.98	-7.45	0	1	0	17	270.397	2	↓ MOL2 SDF SMILES Flexibase

35368526

Analogs

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Popular Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone 3,4-dihydro-2H-1,5-benzodioxepin…

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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)	3.73	8.64	-8.02	0	3	0	36	300.379	2	↓ MOL2 SDF SMILES Flexibase

35368556

Analogs

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Popular Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluorophenyl)methanone 5,6-dihydro-4H-cyclopenta[b]thio…

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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	8.75	-6.11	0	1	0	17	246.306	2	↓ MOL2 SDF SMILES Flexibase

35368569

Analogs

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Popular Name: (2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone (2,4-difluorophenyl)-(5,6-dihydr…

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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)	4.21	8.82	-8.51	0	1	0	17	264.296	2	↓ MOL2 SDF SMILES Flexibase

35368594

Analogs

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Popular Name: (4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone (4-tert-butylphenyl)-(5,6-dihydr…

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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)	5.66	11	-7	0	1	0	17	284.424	3	↓ MOL2 SDF SMILES Flexibase

35368614

Analogs

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Popular Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-[(1R)-1-methylpropyl]phenyl]methanone 5,6-dihydro-4H-cyclopenta[b]thio…

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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)	5.81	11.25	-6.97	0	1	0	17	284.424	4	↓ MOL2 SDF SMILES Flexibase

35368615

Analogs

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Popular Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-[(1S)-1-methylpropyl]phenyl]methanone 5,6-dihydro-4H-cyclopenta[b]thio…

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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)	5.81	11.25	-6.98	0	1	0	17	284.424	4	↓ MOL2 SDF SMILES Flexibase

35368638

Analogs

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Popular Name: (4-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone (4-butylphenyl)-(5,6-dihydro-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)	5.81	11.68	-7.2	0	1	0	17	284.424	5	↓ MOL2 SDF SMILES Flexibase

35368653

Analogs

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Popular Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,4-dimethylphenyl)methanone 5,6-dihydro-4H-cyclopenta[b]thio…

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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)	4.77	10.37	-7.25	0	1	0	17	256.37	2	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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