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ZINC Item

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12224588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluoro-benzamide N-[4-amino-2-[(2-chloro-6-fluoro…

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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	-1.98	-25.26	4	6	0	101	422.844	5	↓ MOL2 SDF SMILES Flexibase

12224595

Analogs

5081489

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-2-[(3,4-dichlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluoro-benzamide N-[4-amino-2-[(3,4-dichloropheny…

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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	-2.81	-26.75	4	6	0	101	439.299	5	↓ MOL2 SDF SMILES Flexibase

12224608

Analogs

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Popular Name: N-[4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluoro-benzamide N-[4-amino-2-[(2,4-dichloropheny…

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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	-2.99	-25.2	4	6	0	101	439.299	5	↓ MOL2 SDF SMILES Flexibase

12224629

Analogs

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Popular Name: N-[4-amino-2-[(3-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-bromo-benzamide N-[4-amino-2-[(3-fluorophenyl)me…

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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)	4.12	-3.37	-19.36	4	6	0	101	449.305	5	↓ MOL2 SDF SMILES Flexibase

12224638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-bromo-benzamide N-[4-amino-2-[(4-fluorophenyl)me…

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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	-3.2	-20.04	4	6	0	101	449.305	5	↓ MOL2 SDF SMILES Flexibase

12224645

Analogs

12224652

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-6-oxo-2-[(1R)-1-phenylethyl]sulfanyl-1H-pyrimidin-5-yl]-4-bromo-benzamide N-[4-amino-6-oxo-2-[(1R)-1-pheny…

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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	-3.17	-18.11	4	6	0	101	445.342	5	↓ MOL2 SDF SMILES Flexibase

12224652

Analogs

12224645

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-6-oxo-2-[(1S)-1-phenylethyl]sulfanyl-1H-pyrimidin-5-yl]-4-bromo-benzamide N-[4-amino-6-oxo-2-[(1S)-1-pheny…

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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	-3.18	-18.12	4	6	0	101	445.342	5	↓ MOL2 SDF SMILES Flexibase

12224662

Analogs

8910704

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-6-oxo-2-(p-tolylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-bromo-benzamide N-[4-amino-6-oxo-2-(p-tolylmethy…

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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	-3.61	-18.53	4	6	0	101	445.342	5	↓ MOL2 SDF SMILES Flexibase

12224673

Analogs

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Popular Name: N-[4-amino-6-oxo-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-4-bromo-benzamide N-[4-amino-6-oxo-2-[[3-(trifluor…

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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)	4.85	-1.76	-20.23	4	6	0	101	499.312	6	↓ MOL2 SDF SMILES Flexibase

12224681

Analogs

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Popular Name: N-[4-amino-6-oxo-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-4-bromo-benzamide N-[4-amino-6-oxo-2-[[4-(trifluor…

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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	-1.77	-20.57	4	6	0	101	499.312	6	↓ MOL2 SDF SMILES Flexibase

12224695

Analogs

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Popular Name: N-[4-amino-2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-bromo-benzamide N-[4-amino-2-[(2-fluorophenyl)me…

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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	-3.24	-19.78	4	6	0	101	449.305	5	↓ MOL2 SDF SMILES Flexibase

12224801

Analogs

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Popular Name: N-[4-amino-2-[(3,4-dichlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-bromo-benzamide N-[4-amino-2-[(3,4-dichloropheny…

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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)	5.27	-4.39	-20.32	4	6	0	101	500.205	5	↓ MOL2 SDF SMILES Flexibase

12224805

Analogs

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Popular Name: N-[4-amino-2-[(3-chlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-bromo-benzamide N-[4-amino-2-[(3-chlorophenyl)me…

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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	-4.26	-18.74	4	6	0	101	465.76	5	↓ MOL2 SDF SMILES Flexibase

12224810

Analogs

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Popular Name: N-[4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-bromo-benzamide N-[4-amino-2-[(2,4-dichloropheny…

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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)	5.27	-4.24	-18.87	4	6	0	101	500.205	5	↓ MOL2 SDF SMILES Flexibase

12224845

Analogs

5081594
5081665
5081668

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-2-[(3,4-dichlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-methoxy-benzamide N-[4-amino-2-[(3,4-dichloropheny…

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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	-3.42	-22.65	4	7	0	110	451.335	6	↓ MOL2 SDF SMILES Flexibase

12224853

Analogs

5081495
5081496
5081497

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-2-[(4-bromophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide N-[4-amino-2-[(4-bromophenyl)met…

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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	-3.61	-20.92	4	6	0	101	445.342	5	↓ MOL2 SDF SMILES Flexibase

12224860

Analogs

5078385
5081490

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide N-[4-amino-2-[(2-chloro-6-fluoro…

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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)	4.37	-2.31	-20.68	4	6	0	101	418.881	5	↓ MOL2 SDF SMILES Flexibase

12224867

Analogs

5081929
5081940
5081942

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-2-[(3,4-dichlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide N-[4-amino-2-[(3,4-dichloropheny…

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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)	4.91	-3.13	-21.84	4	6	0	101	435.336	5	↓ MOL2 SDF SMILES Flexibase

12224871

Analogs

8910674

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide N-[4-amino-2-[(2,4-dichloropheny…

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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)	4.91	-3.16	-20.35	4	6	0	101	435.336	5	↓ MOL2 SDF SMILES Flexibase

12224879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-2-[(3-nitrophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-chloro-benzamide N-[4-amino-2-[(3-nitrophenyl)met…

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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)	3.79	-2.8	-24.71	4	9	0	147	431.861	6	↓ MOL2 SDF SMILES Flexibase

12224926

Analogs

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Popular Name: N-[4-amino-6-oxo-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-3,4-difluoro-benza N-[4-amino-6-oxo-2-[[3-(trifluor…

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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	0.47	-23.02	4	6	0	101	456.396	6	↓ MOL2 SDF SMILES Flexibase

12224931

Analogs

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Popular Name: N-[4-amino-6-oxo-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-3,4-difluoro-benza N-[4-amino-6-oxo-2-[[4-(trifluor…

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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)	4.32	0.29	-22.75	4	6	0	101	456.396	6	↓ MOL2 SDF SMILES Flexibase

12224983

Analogs

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Popular Name: N-[4-amino-2-[(4-bromophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide N-[4-amino-2-[(4-bromophenyl)met…

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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	-2.47	-22.16	4	6	0	101	467.295	5	↓ MOL2 SDF SMILES Flexibase

12224986

Analogs

5081489
5081934
5081935

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Popular Name: N-[4-amino-2-[(4-chlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide N-[4-amino-2-[(4-chlorophenyl)me…

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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	-1.85	-22.14	4	6	0	101	422.844	5	↓ MOL2 SDF SMILES Flexibase

12224992

Analogs

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Popular Name: N-[4-amino-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-3,4-difluoro-benzam N-[4-amino-2-[(2-chloro-6-fluoro…

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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)	4.17	-1.33	-21.14	4	6	0	101	440.834	5	↓ MOL2 SDF SMILES Flexibase

12224998

Analogs

5081490

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide N-[4-amino-2-[(2-chlorophenyl)me…

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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)	4.06	-1.86	-21.97	4	6	0	101	422.844	5	↓ MOL2 SDF SMILES Flexibase

12225004

Analogs

4248891

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-2-[(3,4-dichlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide N-[4-amino-2-[(3,4-dichloropheny…

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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	-2.16	-22.94	4	6	0	101	457.289	5	↓ MOL2 SDF SMILES Flexibase

12225011

Analogs

4248891

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Popular Name: N-[4-amino-2-[(3-chlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide N-[4-amino-2-[(3-chlorophenyl)me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.08	-2.03	-21.28	4	6	0	101	422.844	5	↓ MOL2 SDF SMILES Flexibase

12225016

Analogs

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Popular Name: N-[4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide N-[4-amino-2-[(2,4-dichloropheny…

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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	-2.18	-20.95	4	6	0	101	457.289	5	↓ MOL2 SDF SMILES Flexibase

12225057

Analogs

12225106
12225125
8910669
8910773

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Popular Name: N-(4-amino-2-benzylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide N-(4-amino-2-benzylsulfanyl-6-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)	4.07	-1.01	-18.9	4	6	0	101	420.416	6	↓ MOL2 SDF SMILES Flexibase

12225059

Analogs

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Popular Name: N-[4-amino-2-[(3-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide N-[4-amino-2-[(3-fluorophenyl)me…

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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	-0.28	-20.13	4	6	0	101	438.406	6	↓ MOL2 SDF SMILES Flexibase

12225067

Analogs

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Popular Name: N-[4-amino-2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide N-[4-amino-2-[(4-fluorophenyl)me…

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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	-0.28	-20.46	4	6	0	101	438.406	6	↓ MOL2 SDF SMILES Flexibase

12225073

Analogs

12225079

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Popular Name: N-[4-amino-6-oxo-2-[(1R)-1-phenylethyl]sulfanyl-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide N-[4-amino-6-oxo-2-[(1R)-1-pheny…

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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	-0.25	-18.43	4	6	0	101	434.443	6	↓ MOL2 SDF SMILES Flexibase

12225079

Analogs

12225073

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Popular Name: N-[4-amino-6-oxo-2-[(1S)-1-phenylethyl]sulfanyl-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide N-[4-amino-6-oxo-2-[(1S)-1-pheny…

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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	-0.25	-18.52	4	6	0	101	434.443	6	↓ MOL2 SDF SMILES Flexibase

12225084

Analogs

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Popular Name: N-[4-amino-2-(o-tolylmethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide N-[4-amino-2-(o-tolylmethylsulfa…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.47	-0.76	-18.69	4	6	0	101	434.443	6	↓ MOL2 SDF SMILES Flexibase

12225087

Analogs

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Popular Name: N-[4-amino-2-[(4-nitrophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide N-[4-amino-2-[(4-nitrophenyl)met…

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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	-0.5	-25.34	4	9	0	147	465.413	7	↓ MOL2 SDF SMILES Flexibase

12225092

Analogs

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Popular Name: N-[4-amino-2-(m-tolylmethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide N-[4-amino-2-(m-tolylmethylsulfa…

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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)	4.49	-0.69	-18.88	4	6	0	101	434.443	6	↓ MOL2 SDF SMILES Flexibase

12225103

Analogs

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Popular Name: N-[4-amino-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzam N-[4-amino-2-[(2,5-dimethylpheny…

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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)	4.89	-0.4	-18.67	4	6	0	101	448.47	6	↓ MOL2 SDF SMILES Flexibase

12225106

Analogs

12225125
8910669
8910773

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Popular Name: N-[4-amino-6-oxo-2-(p-tolylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide N-[4-amino-6-oxo-2-(p-tolylmethy…

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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)	4.52	-0.69	-18.88	4	6	0	101	434.443	6	↓ MOL2 SDF SMILES Flexibase

12225119

Analogs

8910667
8910771

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Popular Name: N-[4-amino-6-oxo-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-4-(trifluoromethyl N-[4-amino-6-oxo-2-[[3-(trifluor…

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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)	4.94	1.16	-20.64	4	6	0	101	488.413	7	↓ MOL2 SDF SMILES Flexibase

12225125

Analogs

8910669
8910773

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-6-oxo-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-4-(trifluoromethyl N-[4-amino-6-oxo-2-[[4-(trifluor…

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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)	4.96	1.15	-20.87	4	6	0	101	488.413	7	↓ MOL2 SDF SMILES Flexibase

12225139

Analogs

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Popular Name: N-[4-amino-2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide N-[4-amino-2-[(2-fluorophenyl)me…

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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)	4.18	-0.32	-20.17	4	6	0	101	438.406	6	↓ MOL2 SDF SMILES Flexibase

12225154

Analogs

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Popular Name: N-[4-amino-2-[(3-nitrophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide N-[4-amino-2-[(3-nitrophenyl)met…

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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	-0.5	-25	4	9	0	147	465.413	7	↓ MOL2 SDF SMILES Flexibase

12225276

Analogs

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Popular Name: N-[4-amino-2-[(4-bromophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide N-[4-amino-2-[(4-bromophenyl)met…

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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	-1.77	-19.82	4	6	0	101	499.312	6	↓ MOL2 SDF SMILES Flexibase

12225282

Analogs

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Popular Name: N-[4-amino-2-[(4-chlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide N-[4-amino-2-[(4-chlorophenyl)me…

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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)	4.75	-1.16	-19.79	4	6	0	101	454.861	6	↓ MOL2 SDF SMILES Flexibase

12225288

Analogs

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Popular Name: N-[4-amino-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl) N-[4-amino-2-[(2-chloro-6-fluoro…

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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	-0.47	-19.37	4	6	0	101	472.851	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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