ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

5561730

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dicyclohexyl-5-(1-cyclopropyliminoethyl)-6-hydroxy-pyrimidine-2,4-dione 1,3-dicyclohexyl-5-(1-cyclopropy…

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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)	3.23	10.62	-6.75	1	6	0	73	373.497	4	↓ MOL2 SDF SMILES Flexibase

5561738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-6-hydroxy-5-(1-phenethyliminoethyl)pyrimidine-2,4-dione 1-allyl-6-hydroxy-5-(1-phenethyl…

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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)	1.43	6.16	-8.11	2	6	0	84	313.357	6	↓ MOL2 SDF SMILES Flexibase

5561742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1-benzyliminoethyl)-6-hydroxy-1H-pyrimidine-2,4-dione 5-(1-benzyliminoethyl)-6-hydroxy…

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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)	0.32	1.55	-9.43	3	6	0	95	259.265	3	↓ MOL2 SDF SMILES Flexibase

5561746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1-benzyliminoethyl)-6-hydroxy-1,3-dimethyl-pyrimidine-2,4-dione 5-(1-benzyliminoethyl)-6-hydroxy…

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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)	0.45	5.92	-8.42	1	6	0	73	287.319	3	↓ MOL2 SDF SMILES Flexibase

5562068

Analogs

1225827

Draw Identity 99% 90% 80% 70%

Popular Name: 6-hydroxy-1,3-dimethyl-5-[1-(1-naphthylimino)ethyl]pyrimidine-2,4-dione 6-hydroxy-1,3-dimethyl-5-[1-(1-n…

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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)	1.91	8.15	-8.04	1	6	0	73	323.352	2	↓ MOL2 SDF SMILES Flexibase

5562107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dicyclohexyl-5-(cyclohexyliminomethyl)-6-hydroxy-pyrimidine-2,4-dione 1,3-dicyclohexyl-5-(cyclohexylim…

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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	11.99	-6.42	1	6	0	73	401.551	4	↓ MOL2 SDF SMILES Flexibase

5562123

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dicyclohexyl-5-(cyclopropyliminomethyl)-6-hydroxy-pyrimidine-2,4-dione 1,3-dicyclohexyl-5-(cyclopropyli…

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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)	2.78	10.22	-7.31	1	6	0	73	359.47	4	↓ MOL2 SDF SMILES Flexibase

5563690

Analogs

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Popular Name: 1-(3-fluorophenyl)-6-hydroxy-5-[1-[2-(1H-indol-3-yl)ethylimino]propyl]pyrimidine-2,4-dione 1-(3-fluorophenyl)-6-hydroxy-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)	3.07	8.74	-12.66	3	7	0	100	420.444	6	↓ MOL2 SDF SMILES Flexibase

6051154

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)	1.78	4.09	-10.96	3	8	0	121	331.328	7	↓ MOL2 SDF SMILES Flexibase

6878618

Analogs

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Popular Name: 4-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-N,N-dimethylbenzamide 4-{[(1-(4-chlorophenyl)-2,4,6-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)	1.16	6.81	-14.4	2	8	0	104	412.833	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	1.16	6.8	-14.57	2	8	0	104	412.833	4	↓ MOL2 SDF SMILES Flexibase

6878619

Analogs

4852163

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Popular Name: N,N-dimethyl-4-{[(2,4,6-trioxo-1-phenyltetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzamide N,N-dimethyl-4-{[(2,4,6-trioxo-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)	0.48	6.28	-15.83	2	8	0	104	378.388	4	↓ MOL2 SDF SMILES Flexibase

6878783

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3,5-diiodo-4-methoxy-phenyl)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione 5-[(3,5-diiodo-4-methoxy-phenyl)…

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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)	2.51	-0.08	-7.47	0	6	0	70	526.068	2	↓ MOL2 SDF SMILES Flexibase

6878784

Analogs

2773006
1202736

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-iodo-4,5-dimethoxybenzylidene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione 5-(3-iodo-4,5-dimethoxybenzylide…

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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)	1.28	0.98	-9.97	0	7	0	79	430.198	3	↓ MOL2 SDF SMILES Flexibase

6878785

Analogs

8452602

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(benzyloxy)-3-iodo-5-methoxybenzylidene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione 5-[4-(benzyloxy)-3-iodo-5-methox…

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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)	2.88	1.09	-10.93	0	7	0	79	506.296	5	↓ MOL2 SDF SMILES Flexibase

6878787

Analogs

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Popular Name: 1,3-dimethyl-5-[[5-(1-phenyltetrazol-5-yl)sulfanyl-2-furyl]methylene]hexahydropyrimidine-2,4,6-trion 1,3-dimethyl-5-[[5-(1-phenyltetr…

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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)	1.08	3.01	-18.29	0	10	0	117	410.415	4	↓ MOL2 SDF SMILES Flexibase

6878789

Analogs

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Popular Name: allyl allyl

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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	3.75	-14.93	0	8	0	100	428.828	6	↓ MOL2 SDF SMILES Flexibase

9134949

Analogs

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Popular Name: 1-isopropyl-5-(8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-5-ylaminomethylene)hexahydropyrimid 1-isopropyl-5-(8-oxa-7,9-diazabi…

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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)	0.89	2.83	-17.24	2	9	0	123	315.289	3	↓ MOL2 SDF SMILES Flexibase

44827497

Analogs

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Popular Name: 5-[(4-isopropylanilino)methylene]hexahydropyrimidine-2,4,6-trione 5-[(4-isopropylanilino)methylene…

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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)	1.68	2.83	-7.28	3	6	0	95	273.292	3	↓ MOL2 SDF SMILES Flexibase

44827500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-ethyl-6-methyl-anilino)methylene]hexahydropyrimidine-2,4,6-trione 5-[(2-ethyl-6-methyl-anilino)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)	0.50	3.01	-6.94	3	6	0	95	273.292	3	↓ MOL2 SDF SMILES Flexibase

44827502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1,3-benzothiazol-2-ylamino)methylene]hexahydropyrimidine-2,4,6-trione 5-[(1,3-benzothiazol-2-ylamino)m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.73	1.78	-10.26	3	7	0	108	288.288	2	↓ MOL2 SDF SMILES Flexibase

44827505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methylamino]phenyl]sulfonylurea [4-[(2,4,6-trioxohexahydropyrimi…

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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)	-1.86	-7.03	-53.72	5	11	-1	190	352.308	4	↓ MOL2 SDF SMILES Flexibase

44827508

Analogs

44827511
44827514
44827517

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[[4-[(4aS,8aS)-2-oxo-4a,8a-dihydrochromen-3-yl]thiazol-2-yl]amino]methylene]hexahydropyrimidine-2 5-[[[4-[(4aS,8aS)-2-oxo-4a,8a-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)	0.19	3.97	-11.21	3	9	0	134	384.373	3	↓ MOL2 SDF SMILES Flexibase

44827511

Analogs

44827514
44827517
44827508

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[[4-[(4aR,8aS)-2-oxo-4a,8a-dihydrochromen-3-yl]thiazol-2-yl]amino]methylene]hexahydropyrimidine-2 5-[[[4-[(4aR,8aS)-2-oxo-4a,8a-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)	0.19	3.99	-10.46	3	9	0	134	384.373	3	↓ MOL2 SDF SMILES Flexibase

44827514

Analogs

44827517
44827508
44827511

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[[4-[(4aS,8aR)-2-oxo-4a,8a-dihydrochromen-3-yl]thiazol-2-yl]amino]methylene]hexahydropyrimidine-2 5-[[[4-[(4aS,8aR)-2-oxo-4a,8a-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)	0.19	4	-10.47	3	9	0	134	384.373	3	↓ MOL2 SDF SMILES Flexibase

44827517

Analogs

44827508
44827511

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[[4-[(4aR,8aR)-2-oxo-4a,8a-dihydrochromen-3-yl]thiazol-2-yl]amino]methylene]hexahydropyrimidine-2 5-[[[4-[(4aR,8aR)-2-oxo-4a,8a-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)	0.19	4.06	-11.39	3	9	0	134	384.373	3	↓ MOL2 SDF SMILES Flexibase

44827520

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)	0.87	2.54	-10.32	3	9	0	134	346.324	4	↓ MOL2 SDF SMILES Flexibase

44827523

Analogs

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Popular Name: N-[2-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methylamino]-1,3-benzothiazol-6-yl]acetamide N-[2-[(2,4,6-trioxohexahydropyri…

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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)	-0.08	0.78	-15.11	4	9	0	137	345.34	3	↓ MOL2 SDF SMILES Flexibase

35623035

Analogs

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Popular Name: 1,3-bis(4-methylphenyl)-5-((2-methoxyphenyl)methylene)-1,3-diazaperhydroine-2,4,6-trione 1,3-bis(4-methylphenyl)-5-((2-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)	3.88	13.19	-11.95	0	6	0	70	426.472	4	↓ MOL2 SDF SMILES Flexibase

20119728

Analogs

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Popular Name: (5Z)-1-(2-thienylmethyl)-5-[(2-thienylmethylamino)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(2-thienylmethyl)-5-[(2-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)	1.33	5.59	-11.11	2	6	0	84	347.421	5	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	1.33	5.59	-11.29	2	6	0	84	347.421	5	↓ MOL2 SDF SMILES Flexibase

17971564

Analogs

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Popular Name: 5-methanimidoyl-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione 5-methanimidoyl-1,3-dimethyl-hex…

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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)	-1.77	0.51	-10.86	2	6	0	87	183.167	0	↓ MOL2 SDF SMILES Flexibase

17971829

Analogs

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Popular Name: 1-[2-(1-cyclohexenyl)ethyl]-5-[(E)-(4-dimethylaminophenyl)iminomethyl]-6-hydroxy-pyrimidine-2,4-dion 1-[2-(1-cyclohexenyl)ethyl]-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)	2.72	8.46	-7.78	2	7	0	87	382.464	6	↓ MOL2 SDF SMILES Flexibase

53319153

Analogs

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Popular Name: 5-[[5-bromo-2-[3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]prop-2- 5-[[5-bromo-2-[3-[(5R)-4-methoxy…

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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)	3.27	9.23	-14.35	0	10	0	101	596.434	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.27	11.56	-50.49	1	10	1	102	597.442	4	↓ MOL2 SDF SMILES Flexibase

53319154

Analogs

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Popular Name: 5-[[5-bromo-2-[3-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]prop-2- 5-[[5-bromo-2-[3-[(5S)-4-methoxy…

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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)	3.27	8.79	-15.77	0	10	0	101	596.434	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.27	11.09	-55.12	1	10	1	102	597.442	4	↓ MOL2 SDF SMILES Flexibase

17989077

Analogs

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Popular Name: (5E)-5-[[(2-chlorophenyl)amino]methylene]-1-[[(2S)-tetrahydrofuran-2-yl]methyl]hexahydropyrimidine-2 (5E)-5-[[(2-chlorophenyl)amino]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.24	5.43	-10.46	2	7	0	93	349.774	4	↓ MOL2 SDF SMILES Flexibase

17989080

Analogs

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Popular Name: (5E)-5-[(p-tolylamino)methylene]-1-[[(2S)-tetrahydrofuran-2-yl]methyl]hexahydropyrimidine-2,4,6-trio (5E)-5-[(p-tolylamino)methylene]…

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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)	1.06	5.52	-8.8	2	7	0	93	329.356	4	↓ MOL2 SDF SMILES Flexibase

17989083

Analogs

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Popular Name: (5E)-5-[(p-tolylamino)methylene]-1-[[(2R)-tetrahydrofuran-2-yl]methyl]hexahydropyrimidine-2,4,6-trio (5E)-5-[(p-tolylamino)methylene]…

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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)	1.06	5.64	-9.46	2	7	0	93	329.356	4	↓ MOL2 SDF SMILES Flexibase

17992788

Analogs

6529795

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Popular Name: (5Z)-5-(morpholinomethylene)-1-phenyl-hexahydropyrimidine-2,4,6-trione (5Z)-5-(morpholinomethylene)-1-p…

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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)	-0.10	4.08	-11.6	1	7	0	84	301.302	2	↓ MOL2 SDF SMILES Flexibase

19989980

Analogs

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Popular Name: 1-cycloheptyl-5-(1-{[2-(1H-indol-3-yl)ethyl]amino}propylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione 1-cycloheptyl-5-(1-{[2-(1H-indol…

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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)	3.85	9.16	-9.69	3	7	0	100	422.529	6	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	3.85	9.13	-9.74	3	7	0	100	422.529	6	↓ MOL2 SDF SMILES Flexibase

19990999

Analogs

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Popular Name: 5-(1-{[2-(diethylamino)ethyl]amino}ethylidene)-1-(2-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-(1-{[2-(diethylamino)ethyl]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)	1.65	7.92	-49.11	3	7	1	88	359.45	7	↓ MOL2 SDF SMILES Flexibase

19991005

Analogs

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Popular Name: 5-(1-{[2-(diethylamino)ethyl]amino}ethylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-(1-{[2-(diethylamino)ethyl]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)	1.10	6.12	-49.27	3	8	1	98	375.449	8	↓ MOL2 SDF SMILES Flexibase

19992289

Analogs

532596

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Popular Name: (5Z)-1-allyl-5-[1-[2-(1-piperidyl)ethylamino]ethylidene]hexahydropyrimidine-2,4,6-trione (5Z)-1-allyl-5-[1-[2-(1-piperidy…

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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)	0.57	5.55	-48.53	3	7	1	88	321.401	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.93	3.83	-43.7	3	7	0	94	320.393	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.57	3.34	-7.13	2	7	0	87	320.393	6	↓ MOL2 SDF SMILES Flexibase

19994468

Analogs

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Popular Name: (5E)-5-[(2-morpholinoethylamino)methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(2-morpholinoethylamino)…

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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)	0.14	2.88	-12.24	2	8	0	96	358.398	5	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	0.14	2.88	-12.34	2	8	0	96	358.398	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.14	5.15	-54.58	3	8	1	98	359.406	5	↓ MOL2 SDF SMILES Flexibase

19994490

Analogs

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Popular Name: (5E)-1-(2,5-dimethoxyphenyl)-5-[(3-imidazol-1-ylpropylamino)methylene]hexahydropyrimidine-2,4,6-trio (5E)-1-(2,5-dimethoxyphenyl)-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)	0.23	5.86	-23.5	2	10	0	120	399.407	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.23	6.36	-50.39	3	10	1	122	400.415	8	↓ MOL2 SDF SMILES Flexibase

19994514

Analogs

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Popular Name: (5E)-5-[(3-dimethylaminopropylamino)methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(3-dimethylaminopropylam…

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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)	0.72	6.88	-49.81	3	7	1	88	331.396	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.72	4.4	-12.09	2	7	0	87	330.388	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.72	4.4	-12.14	2	7	0	87	330.388	6	↓ MOL2 SDF SMILES Flexibase

19994533

Analogs

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Popular Name: (5E)-1-(2-ethoxyphenyl)-5-[(2-morpholinoethylamino)methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-(2-ethoxyphenyl)-5-[(2-mo…

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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)	0.28	2.6	-15.22	2	9	0	106	388.424	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.28	4.86	-56.18	3	9	1	107	389.432	7	↓ MOL2 SDF SMILES Flexibase

19994566

Analogs

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Popular Name: (5E)-1-(4-isopropylphenyl)-5-[[2-(1-piperidyl)ethylamino]methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-(4-isopropylphenyl)-5-[[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)	2.26	8.82	-50.75	3	7	1	88	385.488	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.26	6.6	-9.85	2	7	0	87	384.48	6	↓ MOL2 SDF SMILES Flexibase

19994573

Analogs

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Popular Name: (5E)-1-(4-methoxyphenyl)-5-[(2-piperazin-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-(4-methoxyphenyl)-5-[(2-p…

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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)	-0.80	1.53	-51.01	4	9	1	113	374.421	6	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	-0.80	1.53	-51.02	4	9	1	113	374.421	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.80	0.17	-11.25	3	9	0	108	373.413	6	↓ MOL2 SDF SMILES Flexibase

19994654

Analogs

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Popular Name: (5E)-5-[(2-morpholinoethylamino)methylene]-1-phenethyl-hexahydropyrimidine-2,4,6-trione (5E)-5-[(2-morpholinoethylamino)…

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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)	0.22	3.59	-10.43	2	8	0	96	372.425	7	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	0.22	3.59	-10.34	2	8	0	96	372.425	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.22	5.86	-53.67	3	8	1	98	373.433	7	↓ MOL2 SDF SMILES Flexibase

19994658

Analogs

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Popular Name: 5-[(3-dimethylaminopropylamino)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione 5-[(3-dimethylaminopropylamino)m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.09	4.68	-47.54	2	7	1	78	269.325	5	↓ MOL2 SDF SMILES Flexibase

19994713

Analogs

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Popular Name: (5Z)-5-[[(1-benzyl-4-piperidyl)amino]methylene]-1-(2-methoxyphenyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[[(1-benzyl-4-piperidyl)a…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.85	9.09	-55.73	3	8	1	98	435.504	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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