ZINC 12

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ZINC Item

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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

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

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

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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:

ring.id = 8804
filter.purchasability = annotated
page.format = targets
page.num = 1

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SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 8804 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "8804"        

    });
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