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ZINC Item

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52900000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-thienylmethyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one 2-(2-thienylmethyl)-3,5,6,7-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)	2.30	6.17	-11.42	1	3	0	46	232.308	2	↓ MOL2 SDF SMILES Flexibase

52919485

Analogs

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Popular Name: 2-(4-propoxyphenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one 2-(4-propoxyphenyl)-3,5,6,7-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)	3.39	7.31	-10.02	1	4	0	55	270.332	4	↓ MOL2 SDF SMILES Flexibase

52920976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-propoxyphenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one 2-(3-propoxyphenyl)-3,5,6,7-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)	3.36	7.3	-10.6	1	4	0	55	270.332	4	↓ MOL2 SDF SMILES Flexibase

11991308

Analogs

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Popular Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[2-(3,4-dimethoxyphenyl)ethyla…

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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)	2.38	-1.78	-16.46	2	6	0	76	315.373	6	↓ MOL2 SDF SMILES Flexibase

11991309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-methoxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2-methoxyphenyl)amino]-3,5,6…

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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)	2.66	-0.94	-10.72	2	5	0	67	257.293	3	↓ MOL2 SDF SMILES Flexibase

11991310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-Methoxy-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(4-Methoxy-phenylamino)-6,7-di…

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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)	2.70	-1.06	-11.62	2	5	0	67	257.293	3	↓ MOL2 SDF SMILES Flexibase

11991311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-methoxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(3-methoxyphenyl)amino]-3,5,6…

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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)	2.68	-1.05	-12.42	2	5	0	67	257.293	3	↓ MOL2 SDF SMILES Flexibase

11991312

Analogs

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Popular Name: 2-[(3-chloro-4-methyl-phenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(3-chloro-4-methyl-phenyl)ami…

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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)	3.70	-0.9	-11.32	2	4	0	58	275.739	2	↓ MOL2 SDF SMILES Flexibase

11991313

Analogs

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Popular Name: 4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]benzoic 4-[(4-oxo-3,5,6,7-tetrahydrocycl…

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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	-1.49	-55.09	2	6	-1	98	270.268	3	↓ MOL2 SDF SMILES Flexibase

11991314

Analogs

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Popular Name: propyl 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)	3.70	0.11	-13.37	2	6	0	84	313.357	6	↓ MOL2 SDF SMILES Flexibase

11991315

Analogs

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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)	3.19	0.04	-13.54	2	6	0	84	299.33	5	↓ MOL2 SDF SMILES Flexibase

11991316

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)	2.82	0.07	-13.81	2	6	0	84	285.303	4	↓ MOL2 SDF SMILES Flexibase

11991317

Analogs

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Popular Name: 2-(4-Bromo-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(4-Bromo-phenylamino)-6,7-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)	3.46	-1.83	-10.54	2	4	0	58	306.163	2	↓ MOL2 SDF SMILES Flexibase

11991318

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethoxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2,4-dimethoxyphenyl)amino]-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)	2.69	-0.92	-11.42	2	6	0	76	287.319	4	↓ MOL2 SDF SMILES Flexibase

11991319

Analogs

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Popular Name: 2-(4-Fluoro-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(4-Fluoro-phenylamino)-6,7-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)	2.81	-0.33	-11.12	2	4	0	58	245.257	2	↓ MOL2 SDF SMILES Flexibase

11991321

Analogs

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Popular Name: 2-(4-acetylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-(4-acetylpiperazin-1-yl)-3,5,6…

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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)	0.55	-3.41	-15.59	1	6	0	69	262.313	1	↓ MOL2 SDF SMILES Flexibase

11991322

Analogs

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Popular Name: 2-(2-naphthylamino)-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-(2-naphthylamino)-3,5,6,7-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)	3.83	-0.95	-11.78	2	4	0	58	277.327	2	↓ MOL2 SDF SMILES Flexibase

11991323

Analogs

18240708
20394144
20394148
20589754
31880453

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperazin-1-yl]-3,5,6,7-tetrahydrocyclopen 2-[4-(4-oxo-3,5,6,7-tetrahydrocy…

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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)	2.14	-6.7	-16.91	2	8	0	98	354.414	2	↓ MOL2 SDF SMILES Flexibase

11991324

Analogs

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Popular Name: 2-(1,3-benzodioxol-5-ylamino)-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-(1,3-benzodioxol-5-ylamino)-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)	2.54	-1.92	-12.47	2	6	0	76	271.276	2	↓ MOL2 SDF SMILES Flexibase

11991325

Analogs

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Popular Name: 2-(4-Chloro-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(4-Chloro-phenylamino)-6,7-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)	3.33	-1.22	-10.58	2	4	0	58	261.712	2	↓ MOL2 SDF SMILES Flexibase

11991326

Analogs

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Popular Name: 2-(4-Chloro-3-trifluoromethyl-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(4-Chloro-3-trifluoromethyl-ph…

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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)	4.15	0.87	-11.36	2	4	0	58	329.709	3	↓ MOL2 SDF SMILES Flexibase

11991328

Analogs

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Popular Name: 2-(3-Bromo-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(3-Bromo-phenylamino)-6,7-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)	3.43	-1.83	-10.07	2	4	0	58	306.163	2	↓ MOL2 SDF SMILES Flexibase

11991330

Analogs

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Popular Name: 2-[(4-butylphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(4-butylphenyl)amino]-3,5,6,7…

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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)	4.51	-0.34	-10.15	2	4	0	58	283.375	5	↓ MOL2 SDF SMILES Flexibase

11991331

Analogs

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Popular Name: 2-[(5-chloro-2-methyl-phenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(5-chloro-2-methyl-phenyl)ami…

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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)	3.70	-0.71	-10.83	2	4	0	58	275.739	2	↓ MOL2 SDF SMILES Flexibase

11991335

Analogs

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Popular Name: isobutyl isobutyl

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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)	3.94	0.43	-13.15	2	6	0	84	327.384	6	↓ MOL2 SDF SMILES Flexibase

11991337

Analogs

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Popular Name: propyl 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)	3.67	0.03	-15.48	2	6	0	84	313.357	6	↓ MOL2 SDF SMILES Flexibase

11991338

Analogs

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Popular Name: butyl butyl

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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)	4.23	0.15	-15.38	2	6	0	84	327.384	7	↓ MOL2 SDF SMILES Flexibase

11991339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-pyridylmethylamino)-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-(4-pyridylmethylamino)-3,5,6,7…

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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)	1.04	-3.03	-12.49	2	5	0	71	242.282	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.04	-2.92	-47.21	3	5	1	72	243.29	3	↓ MOL2 SDF SMILES Flexibase

11991340

Analogs

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Popular Name: 2-[(4-hydroxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(4-hydroxyphenyl)amino]-3,5,6…

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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)	2.17	-3.05	-12.17	3	5	0	78	243.266	2	↓ MOL2 SDF SMILES Flexibase

11991341

Analogs

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Popular Name: 2-[(4-dimethylaminophenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(4-dimethylaminophenyl)amino]…

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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)	2.75	-1.03	-11.26	2	5	0	61	270.336	3	↓ MOL2 SDF SMILES Flexibase

11991343

Analogs

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Popular Name: 2-[(4-benzyloxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(4-benzyloxyphenyl)amino]-3,5…

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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)	4.30	-0.89	-12.74	2	5	0	67	333.391	5	↓ MOL2 SDF SMILES Flexibase

11991344

Analogs

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Popular Name: 2-[(3,4-dimethoxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(3,4-dimethoxyphenyl)amino]-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)	2.29	-0.73	-13.69	2	6	0	76	287.319	4	↓ MOL2 SDF SMILES Flexibase

11991345

Analogs

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Popular Name: 2-[(4-chloro-2-methyl-phenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(4-chloro-2-methyl-phenyl)ami…

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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)	3.70	-0.58	-10.2	2	4	0	58	275.739	2	↓ MOL2 SDF SMILES Flexibase

11991346

Analogs

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Popular Name: 2-[(3-chloro-4-methoxy-phenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(3-chloro-4-methoxy-phenyl)am…

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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	-1.15	-11.89	2	5	0	67	291.738	3	↓ MOL2 SDF SMILES Flexibase

11991347

Analogs

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Popular Name: 2-[(2-methoxy-5-methyl-phenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2-methoxy-5-methyl-phenyl)am…

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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)	3.08	-0.61	-10.67	2	5	0	67	271.32	3	↓ MOL2 SDF SMILES Flexibase

11991348

Analogs

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Popular Name: 2-[(2-hydroxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2-hydroxyphenyl)amino]-3,5,6…

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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)	2.38	-2.93	-10.8	3	5	0	78	243.266	2	↓ MOL2 SDF SMILES Flexibase

11991349

Analogs

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Popular Name: 2-[(2-propoxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2-propoxyphenyl)amino]-3,5,6…

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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)	3.53	-0.84	-10.23	2	5	0	67	285.347	5	↓ MOL2 SDF SMILES Flexibase

11991351

Analogs

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Popular Name: 2-[[4-(1-piperidyl)phenyl]amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[[4-(1-piperidyl)phenyl]amino]…

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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)	3.66	-3.18	-10.51	2	5	0	61	310.401	3	↓ MOL2 SDF SMILES Flexibase

11991353

Analogs

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Popular Name: 2-[(4-anilinophenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(4-anilinophenyl)amino]-3,5,6…

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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)	4.64	-1.68	-11.86	3	5	0	70	318.38	4	↓ MOL2 SDF SMILES Flexibase

11991354

Analogs

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Popular Name: 4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]benzenesulfonamide 4-[(4-oxo-3,5,6,7-tetrahydrocycl…

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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)	1.34	-7.31	-17.99	4	7	0	118	306.347	3	↓ MOL2 SDF SMILES Flexibase

11991355

Analogs

25497685
25497695
25497702

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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)	2.79	-0.02	-15.94	2	6	0	84	285.303	4	↓ MOL2 SDF SMILES Flexibase

11991357

Analogs

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Popular Name: 2-[(2-hydroxy-5-methyl-phenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2-hydroxy-5-methyl-phenyl)am…

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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	-2.46	-10.83	3	5	0	78	257.293	2	↓ MOL2 SDF SMILES Flexibase

11991358

Analogs

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Popular Name: 2-[2-(1H-benzimidazol-2-yl)ethylamino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[2-(1H-benzimidazol-2-yl)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)	2.34	-4.58	-18.37	3	6	0	86	295.346	4	↓ MOL2 SDF SMILES Flexibase

11991359

Analogs

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Popular Name: 2-[(2-ethoxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2-ethoxyphenyl)amino]-3,5,6,…

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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)	3.03	-0.92	-10.49	2	5	0	67	271.32	4	↓ MOL2 SDF SMILES Flexibase

11991360

Analogs

11991363

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Popular Name: 2-[(4-ethylphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(4-ethylphenyl)amino]-3,5,6,7…

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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)	3.56	-0.59	-10.2	2	4	0	58	255.321	3	↓ MOL2 SDF SMILES Flexibase

11991362

Analogs

11991368

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Popular Name: 2-(m-tolylamino)-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-(m-tolylamino)-3,5,6,7-tetrahy…

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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)	3.07	-0.74	-10.47	2	4	0	58	241.294	2	↓ MOL2 SDF SMILES Flexibase

11991363

Analogs

11991360

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Popular Name: 2-p-Tolylamino-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-p-Tolylamino-6,7-dihydro-5H-cy…

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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)	3.10	-0.75	-10.37	2	4	0	58	241.294	2	↓ MOL2 SDF SMILES Flexibase

11991364

Analogs

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Popular Name: 2-[(2,4-dimethylphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2,4-dimethylphenyl)amino]-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)	3.47	-0.11	-10.18	2	4	0	58	255.321	2	↓ MOL2 SDF SMILES Flexibase

11991365

Analogs

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Popular Name: 2-[(2,3-dimethylphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2,3-dimethylphenyl)amino]-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)	3.45	-0.34	-10.26	2	4	0	58	255.321	2	↓ MOL2 SDF SMILES Flexibase

11991366

Analogs

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Popular Name: 2-[(2,5-dimethylphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2,5-dimethylphenyl)amino]-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)	3.47	-0.24	-10.25	2	4	0	58	255.321	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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