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ZINC Item

Suppliers, Protomers, & Similar Substances

752036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-5-[(5-piperidino-2-furyl)methylene]-1,3-dioxane-4,6-quinone 2,2-dimethyl-5-[(5-piperidino-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	0.19	-12.31	0	6	0	68	305.33	2	↓ MOL2 SDF SMILES Flexibase

20118295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-N-(1-phenylethyl)- benzamide, 4-[[(2,2-dimethyl-4,6…

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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)	3.44	9.85	-16.37	2	7	0	94	394.427	5	↓ MOL2 SDF SMILES Flexibase

20118294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-N-(1-phenylethyl)- benzamide, 4-[[(2,2-dimethyl-4,6…

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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)	3.44	9.86	-16.36	2	7	0	94	394.427	5	↓ MOL2 SDF SMILES Flexibase

30831671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, 4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-N,N-dimethyl- benzeneacetamide, 4-[[(2,2-dimet…

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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)	1.38	7.88	-15.88	1	7	0	85	332.356	4	↓ MOL2 SDF SMILES Flexibase

20119051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(2-chlorophenoxy)-N-[4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]phenyl]- propanamide, 2-(2-chlorophenoxy)…

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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	10.51	-23.45	2	8	0	103	444.871	6	↓ MOL2 SDF SMILES Flexibase

20119052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(2-chlorophenoxy)-N-[4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]phenyl]- propanamide, 2-(2-chlorophenoxy)…

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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	10.55	-23.53	2	8	0	103	444.871	6	↓ MOL2 SDF SMILES Flexibase

20119993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 3-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl](phenylmethyl)amino]- propanamide, 3-[[(2,2-dimethyl-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.24	6.12	-16.77	2	7	0	99	332.356	6	↓ MOL2 SDF SMILES Flexibase

20120133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-N-methyl- benzamide, 4-[[(2,2-dimethyl-4,6…

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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)	1.49	5.16	-17.28	2	7	0	94	304.302	3	↓ MOL2 SDF SMILES Flexibase

12402486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-furyl]benzoic 5-bromo-2-[5-[(2,2-dimethyl-4,6-…

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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)	4.29	2.13	-64.84	0	7	-1	106	420.191	3	↓ MOL2 SDF SMILES Flexibase

23001889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-5-({4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-1,3-dioxane-4,6-dione 2,2-dimethyl-5-({4-[5-(trifluoro…

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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)	2.43	8.05	-14.01	0	7	0	72	385.342	3	↓ MOL2 SDF SMILES Flexibase

58538445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-5-(2-naphthylmethylene)-1,3-dioxane-4,6-dione 2,2-dimethyl-5-(2-naphthylmethyl…

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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	9.8	-9.96	0	4	0	53	282.295	1	↓ MOL2 SDF SMILES Flexibase

58540763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione 5-[(3-ethoxy-4-hydroxy-phenyl)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)	2.70	5.65	-10.93	1	6	0	82	292.287	3	↓ MOL2 SDF SMILES Flexibase

58541820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-hydroxy-4-methoxy-phenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione 5-[(3-hydroxy-4-methoxy-phenyl)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)	2.32	4.71	-11.07	1	6	0	82	278.26	2	↓ MOL2 SDF SMILES Flexibase

352557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione 5-(2-imidazolidinylidene)-2,2-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)	-1.04	-1.5	-11.4	2	6	0	76	212.205	0	↓ MOL2 SDF SMILES Flexibase

1382340

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]benzenecarboxamide 2-chloro-N-[(2,2-dimethyl-4,6-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)	2.26	1.53	-10.87	1	6	0	81	309.705	2	↓ MOL2 SDF SMILES Flexibase

1382342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]benzenecarboxamide 2,4-dichloro-N-[(2,2-dimethyl-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.91	1.38	-9.17	1	6	0	81	344.15	2	↓ MOL2 SDF SMILES Flexibase

1382420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dichloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]benzenecarboxamide 3,4-dichloro-N-[(2,2-dimethyl-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.91	1.38	-8.43	1	6	0	81	344.15	2	↓ MOL2 SDF SMILES Flexibase

1382422

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]benzenecarboxamide 3-chloro-N-[(2,2-dimethyl-4,6-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)	2.28	1.5	-8.95	1	6	0	81	309.705	2	↓ MOL2 SDF SMILES Flexibase

1382423

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]benzenecarboxamide 4-chloro-N-[(2,2-dimethyl-4,6-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)	2.31	1.5	-8.53	1	6	0	81	309.705	2	↓ MOL2 SDF SMILES Flexibase

1382426

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]-4-fluorobenzenecarboxamide N-[(2,2-dimethyl-4,6-dioxo-1,3-d…

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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)	1.79	2.39	-8.87	1	6	0	81	293.25	2	↓ MOL2 SDF SMILES Flexibase

1382427

Analogs

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Popular Name: N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]-3-(trifluoromethyl)benzenecarboxamide N-[(2,2-dimethyl-4,6-dioxo-1,3-d…

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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)	2.50	3.83	-10.59	1	6	0	81	343.257	3	↓ MOL2 SDF SMILES Flexibase

1382428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]-3-methoxybenzenecarboxamide N-[(2,2-dimethyl-4,6-dioxo-1,3-d…

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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)	1.66	1.67	-11.07	1	7	0	90	305.286	3	↓ MOL2 SDF SMILES Flexibase

1382430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]benzenecarboxamide 3,5-dichloro-N-[(2,2-dimethyl-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.91	1.36	-7.77	1	6	0	81	344.15	2	↓ MOL2 SDF SMILES Flexibase

1382431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]propanamide N-[(2,2-dimethyl-4,6-dioxo-1,3-d…

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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	4.14	-9.81	1	6	0	82	227.216	2	↓ MOL2 SDF SMILES Flexibase

1382432

Analogs

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Popular Name: N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]-2,2-dimethylpropanamide N-[(2,2-dimethyl-4,6-dioxo-1,3-d…

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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)	1.95	2.23	-8.69	1	6	0	81	255.27	2	↓ MOL2 SDF SMILES Flexibase

1382486

Analogs

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Popular Name: N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]-3-methylbutanamide N-[(2,2-dimethyl-4,6-dioxo-1,3-d…

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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)	1.57	1.87	-9.29	1	6	0	81	255.27	3	↓ MOL2 SDF SMILES Flexibase

1382488

Analogs

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Popular Name: N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]cyclopropanecarboxamide N-[(2,2-dimethyl-4,6-dioxo-1,3-d…

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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)	0.79	4.91	-9.15	1	6	0	82	239.227	2	↓ MOL2 SDF SMILES Flexibase

1382490

Analogs

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Popular Name: 2-chloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]nicotinamide 2-chloro-N-[(2,2-dimethyl-4,6-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)	1.36	0.63	-12.75	1	7	0	94	310.693	2	↓ MOL2 SDF SMILES Flexibase

1382492

Analogs

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Popular Name: N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]butanamide N-[(2,2-dimethyl-4,6-dioxo-1,3-d…

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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)	1.36	4.91	-9.44	1	6	0	82	241.243	3	↓ MOL2 SDF SMILES Flexibase

1382493

Analogs

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Popular Name: N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]-4-(trifluoromethyl)benzenecarboxamide N-[(2,2-dimethyl-4,6-dioxo-1,3-d…

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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)	2.52	3.82	-9.05	1	6	0	81	343.257	3	↓ MOL2 SDF SMILES Flexibase

1384970

Analogs

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Popular Name: 5-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylene}-2,2-dimethyl-1,3-dioxane-4,6-dione 5-{[3-chloro-5-(trifluoromethyl)…

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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	4.22	-7.88	0	5	0	65	335.665	2	↓ MOL2 SDF SMILES Flexibase

1386486

Analogs

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Popular Name: 5-{[2-(diethylamino)-1,3-thiazol-5-yl]methylene}-2,2-dimethyl-1,3-dioxane-4,6-dione 5-{[2-(diethylamino)-1,3-thiazol…

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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)	2.95	1.64	-12.48	0	6	0	68	310.375	4	↓ MOL2 SDF SMILES Flexibase

14007358

Analogs

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Popular Name: 2,2-dimethyl-5-{[2-(2-naphthyloxy)-5-(trifluoromethyl)anilino]methylene}-1,3-dioxane-4,6-dione 2,2-dimethyl-5-{[2-(2-naphthylox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.05	13.12	-12.19	1	6	0	74	457.404	5	↓ MOL2 SDF SMILES Flexibase

2086856

Analogs

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Popular Name: 5-[bis(methylsulfanyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione 5-[bis(methylsulfanyl)methylene]…

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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)	1.92	5.86	-9.53	0	4	0	53	248.325	2	↓ MOL2 SDF SMILES Flexibase

2574944

Analogs

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Popular Name: 5-(Dihydrofuran-2(3H)-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione 5-(Dihydrofuran-2(3H)-ylidene)-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)	1.84	4.99	-11.06	0	5	0	62	212.201	0	↓ MOL2 SDF SMILES Flexibase

2575848

Analogs

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Popular Name: 8-[[5-(4-chlorophenyl)-2-furyl]methylene]-6,10-dioxaspiro[4.5]decane-7,9-quinone 8-[[5-(4-chlorophenyl)-2-furyl]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)	5.32	2.71	-12.81	0	5	0	65	358.777	2	↓ MOL2 SDF SMILES Flexibase

2575849

Analogs

242002
104019

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Popular Name: 8-(2-chlorobenzylidene)-6,10-dioxaspiro[4.5]decane-7,9-quinone 8-(2-chlorobenzylidene)-6,10-dio…

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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	1.66	-7.63	0	4	0	52	292.718	1	↓ MOL2 SDF SMILES Flexibase

14255596

Analogs

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Popular Name: 5-[[(4-dimethylaminophenyl)amino]-[[(1S)-1-methylhexyl]-[(4-pentylphenyl)methyl]amino]methylene]-2,2 5-[[(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)	8.32	19.65	-7.06	1	7	0	71	563.783	15	↓ MOL2 SDF SMILES Flexibase

14255598

Analogs

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Popular Name: 5-[[(2,4-dimethoxyphenyl)amino]-[[4-(2,2-dimethylpropyl)phenyl]methyl-[(1S)-1-methylhexyl]amino]meth 5-[[(2,4-dimethoxyphenyl)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)	7.83	17.99	-8.14	1	8	0	86	580.766	14	↓ MOL2 SDF SMILES Flexibase

14255600

Analogs

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Popular Name: 5-[[(2,4-dimethoxyphenyl)amino]-[heptyl-[(4-pentylphenyl)methyl]amino]methylene]-2,2-dimethyl-1,3-di 5-[[(2,4-dimethoxyphenyl)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)	8.40	19.04	-9.2	1	8	0	86	580.766	17	↓ MOL2 SDF SMILES Flexibase

14255602

Analogs

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Popular Name: 5-[[(2,4-dimethoxyphenyl)amino]-[(4-isobutylphenyl)methyl-[(1S)-1-methylhexyl]amino]methylene]-2,2-d 5-[[(2,4-dimethoxyphenyl)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)	7.25	17.64	-8.21	1	8	0	86	566.739	14	↓ MOL2 SDF SMILES Flexibase

14255606

Analogs

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Popular Name: 5-[[(2,4-dimethoxyphenyl)amino]-[[(1S)-1-methylhexyl]-[(4-pentylphenyl)methyl]amino]methylene]-2,2-d 5-[[(2,4-dimethoxyphenyl)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)	8.28	18.74	-8.28	1	8	0	86	580.766	16	↓ MOL2 SDF SMILES Flexibase

14255608

Analogs

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Popular Name: 5-[[(4-dimethylamino-2-methyl-phenyl)amino]-[(4-isobutylphenyl)methyl-[(1S)-1-methylhexyl]amino]meth 5-[[(4-dimethylamino-2-methyl-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)	7.69	20.14	-7.59	1	7	0	71	563.783	13	↓ MOL2 SDF SMILES Flexibase

14255610

Analogs

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Popular Name: 5-[[(4-dimethylamino-2-methyl-phenyl)amino]-[[4-(2,2-dimethylpropyl)phenyl]methyl-[(1S)-1-methylhexy 5-[[(4-dimethylamino-2-methyl-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)	8.24	20.49	-7.45	1	7	0	71	577.81	13	↓ MOL2 SDF SMILES Flexibase

14552775

Analogs

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Popular Name: benzamide, N-[4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]phenyl]-2-methyl- benzamide, N-[4-[[(2,2-dimethyl-…

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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)	3.58	9.62	-14.06	2	7	0	94	380.4	4	↓ MOL2 SDF SMILES Flexibase

14553082

Analogs

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Popular Name: 1,3-dioxane-4,6-dione, 5-[[(3-bromophenyl)amino]methylene]-2,2-dimethyl- 1,3-dioxane-4,6-dione, 5-[[(3-br…

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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	7.54	-8.83	1	5	0	65	326.146	2	↓ MOL2 SDF SMILES Flexibase

14553274

Analogs

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Popular Name: benzamide, N-[4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]phenyl]-3-methyl- benzamide, N-[4-[[(2,2-dimethyl-…

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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)	3.61	9.58	-16.06	2	7	0	94	380.4	4	↓ MOL2 SDF SMILES Flexibase

14561122

Analogs

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Popular Name: benzamide, 3-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-N,N-dipropyl- benzamide, 3-[[(2,2-dimethyl-4,6…

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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)	2.99	10.08	-15.99	1	7	0	85	374.437	7	↓ MOL2 SDF SMILES Flexibase

14561749

Analogs

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Popular Name: benzamide, 3-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(2,2-dimethyl-4,6…

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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)	2.63	10.76	-18.03	1	7	0	85	394.427	5	↓ MOL2 SDF SMILES Flexibase

14563825

Analogs

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Popular Name: benzamide, 3-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-N-(3-methylphenyl)- benzamide, 3-[[(2,2-dimethyl-4,6…

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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)	3.58	9.57	-17.84	2	7	0	94	380.4	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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