ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

49917556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-hydroxy-6,8,8-trimethyl-2-(o-tolyl)chromene-4,7-dione 5-hydroxy-6,8,8-trimethyl-2-(o-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)	3.45	10.47	-16.45	0	4	0	64	310.349	1	↓ MOL2 SDF SMILES Flexibase

13406138

Analogs

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Popular Name: Colupone Colupone

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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)	6.86	15.92	-8.27	1	4	0	71	468.678	10	↓ MOL2 SDF SMILES Flexibase

58556828

Analogs

42835223
42835225

Draw Identity 99% 90% 80% 70%

Popular Name: benzoyl-hydroperoxy-tetramethyl-bis(3-methylbut-2-enyl)BLAHdione benzoyl-hydroperoxy-tetramethyl-…

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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)	6.69	12.78	-9	1	6	0	90	534.693	7	↓ MOL2 SDF SMILES Flexibase

60021256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-hydroxy-1-methyl-ethyl)-methyl-[(2R)-2-methylbutanoyl]-bis(3-methylbut-2-enyl)-(4-methylpent-3-en (1-hydroxy-1-methyl-ethyl)-methy…

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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)	7.95	16.19	-7.86	1	5	0	81	566.823	11	↓ MOL2 SDF SMILES Flexibase

60021258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-hydroxy-1-methyl-ethyl)-methyl-[(2S)-2-methylbutanoyl]-bis(3-methylbut-2-enyl)-(4-methylpent-3-en (1-hydroxy-1-methyl-ethyl)-methy…

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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)	7.95	16.03	-9.61	1	5	0	81	566.823	11	↓ MOL2 SDF SMILES Flexibase

60021259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-hydroxy-1-methyl-ethyl)-methyl-bis(3-methylbut-2-enyl)-(4-methylpent-3-enyl)-(2-methylpropanoyl)B (1-hydroxy-1-methyl-ethyl)-methy…

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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)	7.45	15.46	-8.24	1	5	0	81	552.796	10	↓ MOL2 SDF SMILES Flexibase

60021261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-hydroxy-1-methyl-ethyl)-methyl-bis(3-methylbut-2-enyl)-(4-methylpent-3-enyl)-(2-methylpropanoyl)B (1-hydroxy-1-methyl-ethyl)-methy…

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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)	7.45	15.52	-9.68	1	5	0	81	552.796	10	↓ MOL2 SDF SMILES Flexibase

14560198

Analogs

43409388
43409408
43409455
43409457
43481719

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,4,4-tetramethyl-6-[(2R)-2-methylbutanoyl]cyclohexane-1,3,5-trione 2,2,4,4-tetramethyl-6-[(2R)-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 Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.75	8.22	-37.72	4	-1	74	265.329	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.75	6.52	-42.2	4	-1	74	265.329	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.16	6.39	-7.23	4	0	68	266.337	3	↓ MOL2 SDF SMILES Flexibase

66066564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2E)-2-[(4R)-4-(3,3-dimethylbutyl)-4-methyl-1,3-dioxo-tetralin-2-ylidene]-4-(hydroxymethyl)-1H-qu N-[(2E)-2-[(4R)-4-(3,3-dimethylb…

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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	6.65	-47.26	1	7	-1	116	507.632	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.32	6.25	-123.44	1	7	-2	121	506.624	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.12	6.44	-23.11	2	7	0	113	508.64	7	↓ MOL2 SDF SMILES Flexibase

66122764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-dibenzofuran-4-yl-6,8,8-triethyl-5-hydroxy-chromene-4,7-dione 2-dibenzofuran-4-yl-6,8,8-trieth…

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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)	5.78	14.32	-24.56	0	5	0	77	428.484	4	↓ MOL2 SDF SMILES Flexibase

66122992

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,8,8-triethyl-2-(9-ethylcarbazol-3-yl)-5-hydroxy-chromene-4,7-dione 6,8,8-triethyl-2-(9-ethylcarbazo…

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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)	6.15	16.21	-20.65	0	5	0	69	455.554	5	↓ MOL2 SDF SMILES Flexibase

66123192

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,8,8-triethyl-5-hydroxy-2-(5-methylbenzothiophen-3-yl)chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-(5-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)	5.52	13.35	-17.88	0	4	0	64	408.519	4	↓ MOL2 SDF SMILES Flexibase

66123194

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,8,8-triethyl-5-hydroxy-2-(2-methylbenzothiophen-3-yl)chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-(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)	5.31	13.66	-16.71	0	4	0	64	408.519	4	↓ MOL2 SDF SMILES Flexibase

66123195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzothiophen-3-yl)-6,8,8-triethyl-5-hydroxy-chromene-4,7-dione 2-(benzothiophen-3-yl)-6,8,8-tri…

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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)	5.09	12.68	-17.89	0	4	0	64	394.492	4	↓ MOL2 SDF SMILES Flexibase

66123197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-(1-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)	4.42	13.2	-19.52	0	5	0	69	391.467	4	↓ MOL2 SDF SMILES Flexibase

66123199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzofuran-3-yl)-6,8,8-triethyl-5-hydroxy-chromene-4,7-dione 2-(benzofuran-3-yl)-6,8,8-trieth…

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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)	4.45	11.87	-18.64	0	5	0	77	378.424	4	↓ MOL2 SDF SMILES Flexibase

66123202

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,8,8-triethyl-5-hydroxy-2-(3-methylbenzothiophen-2-yl)chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-(3-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)	5.66	13.56	-19	0	4	0	64	408.519	4	↓ MOL2 SDF SMILES Flexibase

66123382

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-bromobenzothiophen-3-yl)-6,8,8-triethyl-5-hydroxy-chromene-4,7-dione 2-(5-bromobenzothiophen-3-yl)-6,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.88	13.3	-16.67	0	4	0	64	473.388	4	↓ MOL2 SDF SMILES Flexibase

66123392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,7-dimethoxy-1-naphthyl)-6,8,8-triethyl-5-hydroxy-chromene-4,7-dione 2-(4,7-dimethoxy-1-naphthyl)-6,8…

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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)	5.40	12.36	-18.67	0	6	0	83	448.515	6	↓ MOL2 SDF SMILES Flexibase

66123394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,8,8-triethyl-5-hydroxy-2-(4-methoxy-1-naphthyl)chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-(4-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)	5.37	13.06	-17.31	0	5	0	74	418.489	5	↓ MOL2 SDF SMILES Flexibase

66123396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,8,8-triethyl-5-hydroxy-2-(2-methyl-1-naphthyl)chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-(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)	5.76	14.36	-18.05	0	4	0	64	402.49	4	↓ MOL2 SDF SMILES Flexibase

66123398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,8,8-triethyl-5-hydroxy-2-(4-methyl-1-naphthyl)chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-(4-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)	5.76	14.23	-16.7	0	4	0	64	402.49	4	↓ MOL2 SDF SMILES Flexibase

66123399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-hydroxy-2-(1-naphthyl)-6,8,8-tripropyl-chromene-4,7-dione 5-hydroxy-2-(1-naphthyl)-6,8,8-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)	7.03	16.03	-16.26	0	4	0	64	430.544	7	↓ MOL2 SDF SMILES Flexibase

66123577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,8,8-triethyl-5-hydroxy-2-(2-naphthyl)chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-(2-na…

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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)	5.38	13.75	-17.65	0	4	0	64	388.463	4	↓ MOL2 SDF SMILES Flexibase

66123579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dimethoxy-1-naphthyl)-6,8,8-triethyl-5-hydroxy-chromene-4,7-dione 2-(2,3-dimethoxy-1-naphthyl)-6,8…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.15	13.07	-18.92	0	6	0	83	448.515	6	↓ MOL2 SDF SMILES Flexibase

66123584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,8,8-triethyl-5-hydroxy-2-(4-phenylphenyl)chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-(4-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)	5.99	14.9	-18.12	0	4	0	64	414.501	5	↓ MOL2 SDF SMILES Flexibase

66124194

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,2-dihydroacenaphthylen-5-yl)-6,8,8-triethyl-5-hydroxy-chromene-4,7-dione 2-(1,2-dihydroacenaphthylen-5-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.48	14.83	-17.21	0	4	0	64	414.501	4	↓ MOL2 SDF SMILES Flexibase

66124195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzothiophen-3-yl)-5-hydroxy-6,8,8-trimethyl-chromene-4,7-dione 2-(benzothiophen-3-yl)-5-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)	3.94	10.96	-18.1	0	4	0	64	352.411	1	↓ MOL2 SDF SMILES Flexibase

66124198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-6,8,8-trimethyl-chromene-4,7-dione 2-(2,3-dihydro-1,4-benzodioxin-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)	2.56	8.92	-19.86	0	6	0	83	354.358	1	↓ MOL2 SDF SMILES Flexibase

66136574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5S,6R,7S)-3-methoxy-7-methyl-6-phenyl-bicyclo[3.2.1]oct-2-ene-4,8-dione (1S,5S,6R,7S)-3-methoxy-7-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)	1.45	7.52	-10.37	0	3	0	43	256.301	2	↓ MOL2 SDF SMILES Flexibase

66148974

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)	4.67	14.26	-11.72	0	6	0	87	506.639	9	↓ MOL2 SDF SMILES Flexibase

66165894

Analogs

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Popular Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroethyl

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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)	5.60	15.48	-13.2	0	6	0	87	574.636	11	↓ MOL2 SDF SMILES Flexibase

66166869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S,5R)-3-(benzenesulfonyl)-7-benzoyl-6-methoxy-4,4-dimethyl-1,5-bis(3-methylbut-2-enyl)bicyclo[3 (1R,3S,5R)-3-(benzenesulfonyl)-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)	4.92	18.29	-21.71	0	6	0	95	588.766	9	↓ MOL2 SDF SMILES Flexibase

66166870

Analogs

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Popular Name: (1R,3R,5R)-3-(benzenesulfonyl)-7-benzoyl-6-methoxy-4,4-dimethyl-1,5-bis(3-methylbut-2-enyl)bicyclo[3 (1R,3R,5R)-3-(benzenesulfonyl)-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)	4.92	14.27	-16.87	0	6	0	95	588.766	9	↓ MOL2 SDF SMILES Flexibase

49553027

Analogs

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Popular Name: 5-hydroxy-2-phenyl-6,8,8-tripropyl-chromene-4,7-dione 5-hydroxy-2-phenyl-6,8,8-triprop…

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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)	5.87	13.76	-16.5	0	4	0	64	380.484	7	↓ MOL2 SDF SMILES Flexibase

49553028

Analogs

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Popular Name: 6,8,8-triethyl-5-hydroxy-3-phenyl-chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-3-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)	4.00	11.39	-18.68	0	4	0	64	338.403	4	↓ MOL2 SDF SMILES Flexibase

49563541

Analogs

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Popular Name: 6-ethyl-5-hydroxy-8,8-dimethyl-2-phenyl-chromene-4,7-dione 6-ethyl-5-hydroxy-8,8-dimethyl-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)	3.55	10.42	-17.37	0	4	0	64	310.349	2	↓ MOL2 SDF SMILES Flexibase

49563544

Analogs

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Popular Name: 5-hydroxy-6,8,8-trimethyl-2-(p-tolyl)chromene-4,7-dione 5-hydroxy-6,8,8-trimethyl-2-(p-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)	3.50	10.41	-17.08	0	4	0	64	310.349	1	↓ MOL2 SDF SMILES Flexibase

49563545

Analogs

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Popular Name: 2-(3,5-dimethylphenyl)-5-hydroxy-6,8,8-trimethyl-chromene-4,7-dione 2-(3,5-dimethylphenyl)-5-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)	3.87	11.07	-16.73	0	4	0	64	324.376	1	↓ MOL2 SDF SMILES Flexibase

49563546

Analogs

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Popular Name: 2-(4-ethylphenyl)-5-hydroxy-6,8,8-trimethyl-chromene-4,7-dione 2-(4-ethylphenyl)-5-hydroxy-6,8,…

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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)	3.96	11.18	-16.87	0	4	0	64	324.376	2	↓ MOL2 SDF SMILES Flexibase

49563547

Analogs

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Popular Name: 5-hydroxy-6,8,8-trimethyl-2-(1-naphthyl)chromene-4,7-dione 5-hydroxy-6,8,8-trimethyl-2-(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)	4.21	12.09	-17.15	0	4	0	64	346.382	1	↓ MOL2 SDF SMILES Flexibase

49563591

Analogs

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Popular Name: 6,8,8-triethyl-5-hydroxy-2-(1-naphthyl)chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-(1-na…

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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)	5.36	13.7	-16.82	0	4	0	64	388.463	4	↓ MOL2 SDF SMILES Flexibase

49563592

Analogs

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Popular Name: 6,8,8-triethyl-5-hydroxy-2-(9-phenanthryl)chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-(9-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)	6.49	15.8	-17.16	0	4	0	64	438.523	4	↓ MOL2 SDF SMILES Flexibase

49563594

Analogs

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Popular Name: 6,8,8-triethyl-5-hydroxy-2-(p-tolyl)chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-(p-to…

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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	12.13	-16.78	0	4	0	64	352.43	4	↓ MOL2 SDF SMILES Flexibase

49563599

Analogs

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Popular Name: 6,8,8-triethyl-5-hydroxy-2-(o-tolyl)chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-(o-to…

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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)	4.60	12.19	-16.68	0	4	0	64	352.43	4	↓ MOL2 SDF SMILES Flexibase

49563604

Analogs

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Popular Name: 6,8,8-triethyl-5-hydroxy-2-phenyl-chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-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)	4.20	11.45	-16.97	0	4	0	64	338.403	4	↓ MOL2 SDF SMILES Flexibase

49576940

Analogs

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Popular Name: 5-hydroxy-6,8,8-trimethyl-2-(2,4,6-trimethylphenyl)chromene-4,7-dione 5-hydroxy-6,8,8-trimethyl-2-(2,4…

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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)	4.25	11.6	-15.87	0	4	0	64	338.403	1	↓ MOL2 SDF SMILES Flexibase

49576969

Analogs

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Popular Name: 6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxy-chromene-4,7-dione 6,8,8-triethyl-2-(4-ethylphenyl)…

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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)	5.11	12.86	-16.63	0	4	0	64	366.457	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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