ZINC 12

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	6.9	-13.86	2	11	0	128	538.601	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.51	7.66	-33.99	3	11	0	130	539.609	6	↓ MOL2 SDF SMILES Flexibase

53298081

Analogs

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Popular Name: (3S)-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl]oxy-3-[4-(4-dimethyl (3S)-7-[(2R,3R,4S,5R)-3,4-dihydr…

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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	7.02	-13.74	2	11	0	128	538.601	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.51	7.77	-33.73	3	11	0	130	539.609	6	↓ MOL2 SDF SMILES Flexibase

11535724

Analogs

5833808

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Popular Name: 6-ethylchroman-2-one 6-ethylchroman-2-one

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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)	2.68	2.52	-7.49	0	2	0	26	176.215	1	↓ MOL2 SDF SMILES Flexibase

11535733

Analogs

39289597
5063213

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Popular Name: 6-Methoxychromanone 6-Methoxychromanone

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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)	1.82	2.05	-8.18	0	3	0	36	178.187	1	↓ MOL2 SDF SMILES Flexibase

11797900

Analogs

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Popular Name: (4R)-7-hydroxy-4-[2-(2-phenoxyethoxy)phenyl]chroman-2-one (4R)-7-hydroxy-4-[2-(2-phenoxyet…

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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	0.83	-12.06	1	5	0	65	376.408	6	↓ MOL2 SDF SMILES Flexibase

11797902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-7-hydroxy-4-[2-(2-phenoxyethoxy)phenyl]chroman-2-one (4S)-7-hydroxy-4-[2-(2-phenoxyet…

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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	0.83	-12.4	1	5	0	65	376.408	6	↓ MOL2 SDF SMILES Flexibase

11798630

Analogs

11828456
11828460
11993424
11993425
11994718

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-2-oxo-4-phenyl-chroman-7-yl]oxyacetic 2-[(4R)-2-oxo-4-phenyl-chroman-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)	2.21	2.42	-49.55	0	5	-1	76	297.286	4	↓ MOL2 SDF SMILES Flexibase

11798632

Analogs

11828456
11828460
11993424
11993425
11994718

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2-oxo-4-phenyl-chroman-7-yl]oxyacetic 2-[(4S)-2-oxo-4-phenyl-chroman-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)	2.21	2.42	-49.56	0	5	-1	76	297.286	4	↓ MOL2 SDF SMILES Flexibase

11799095

Analogs

11993081
11993082

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Popular Name: (4S)-4-(4-butoxy-3-chloro-5-methoxy-phenyl)-7-hydroxy-chroman-2-one (4S)-4-(4-butoxy-3-chloro-5-meth…

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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)	4.31	1.3	-11.19	1	5	0	65	376.836	6	↓ MOL2 SDF SMILES Flexibase

11799097

Analogs

11993081
11993082

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-butoxy-3-chloro-5-methoxy-phenyl)-7-hydroxy-chroman-2-one (4R)-4-(4-butoxy-3-chloro-5-meth…

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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)	4.31	1.3	-11.05	1	5	0	65	376.836	6	↓ MOL2 SDF SMILES Flexibase

11799541

Analogs

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Popular Name: 3-[(4S)-4-(4-methoxyphenyl)-2-oxo-chroman-7-yl]oxypropanoic 3-[(4S)-4-(4-methoxyphenyl)-2-ox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.53	2.14	-47.62	0	6	-1	85	341.339	6	↓ MOL2 SDF SMILES Flexibase

11799543

Analogs

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Popular Name: 3-[(4R)-4-(4-methoxyphenyl)-2-oxo-chroman-7-yl]oxypropanoic 3-[(4R)-4-(4-methoxyphenyl)-2-ox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.53	2.14	-47.11	0	6	-1	85	341.339	6	↓ MOL2 SDF SMILES Flexibase

11799731

Analogs

11827767
11827772

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(3-bromo-4-propoxy-phenyl)-7-hydroxy-chroman-2-one (4S)-4-(3-bromo-4-propoxy-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)	4.10	0.18	-9.78	1	4	0	56	377.234	4	↓ MOL2 SDF SMILES Flexibase

11799732

Analogs

11827767
11827772

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-bromo-4-propoxy-phenyl)-7-hydroxy-chroman-2-one (4R)-4-(3-bromo-4-propoxy-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)	4.10	0.18	-9.37	1	4	0	56	377.234	4	↓ MOL2 SDF SMILES Flexibase

11799790

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-(3-ethoxyphenyl)-2-oxo-chroman-7-yl]oxyacetic 2-[(4S)-4-(3-ethoxyphenyl)-2-oxo…

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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)	2.62	2.46	-50.03	0	6	-1	85	341.339	6	↓ MOL2 SDF SMILES Flexibase

11799792

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-(3-ethoxyphenyl)-2-oxo-chroman-7-yl]oxyacetic 2-[(4R)-4-(3-ethoxyphenyl)-2-oxo…

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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)	2.62	2.45	-50.02	0	6	-1	85	341.339	6	↓ MOL2 SDF SMILES Flexibase

11801151

Analogs

11950070
11950080
11950152
11950155

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-7-hydroxy-4-[4-(4-methylphenoxy)phenyl]chroman-2-one (4S)-7-hydroxy-4-[4-(4-methylphe…

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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)	4.63	1.75	-10.03	1	4	0	56	346.382	3	↓ MOL2 SDF SMILES Flexibase

11801153

Analogs

11950070
11950080
11950152
11950155

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-7-hydroxy-4-[4-(4-methylphenoxy)phenyl]chroman-2-one (4R)-7-hydroxy-4-[4-(4-methylphe…

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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)	4.63	1.74	-10.04	1	4	0	56	346.382	3	↓ MOL2 SDF SMILES Flexibase

11801570

Analogs

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Popular Name: (4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-7-hydroxy-chroman-2-one (4R)-4-[4-[(4-chlorophenyl)metho…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.75	0.79	-10.51	1	4	0	56	380.827	4	↓ MOL2 SDF SMILES Flexibase

11801572

Analogs

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Popular Name: (4S)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-7-hydroxy-chroman-2-one (4S)-4-[4-[(4-chlorophenyl)metho…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.75	0.79	-10.48	1	4	0	56	380.827	4	↓ MOL2 SDF SMILES Flexibase

11801853

Analogs

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Popular Name: (4R)-4-[4-[(3-chlorophenyl)methoxy]phenyl]-7-hydroxy-chroman-2-one (4R)-4-[4-[(3-chlorophenyl)metho…

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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)	4.73	0.79	-10.75	1	4	0	56	380.827	4	↓ MOL2 SDF SMILES Flexibase

11801856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[4-[(3-chlorophenyl)methoxy]phenyl]-7-hydroxy-chroman-2-one (4S)-4-[4-[(3-chlorophenyl)metho…

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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)	4.73	0.79	-10.66	1	4	0	56	380.827	4	↓ MOL2 SDF SMILES Flexibase

11802109

Analogs

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Popular Name: (4R)-4-[3-[(4-chlorophenyl)methoxy]phenyl]-7-hydroxy-chroman-2-one (4R)-4-[3-[(4-chlorophenyl)metho…

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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)	4.73	0.79	-10.26	1	4	0	56	380.827	4	↓ MOL2 SDF SMILES Flexibase

11802111

Analogs

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Popular Name: (4S)-4-[3-[(4-chlorophenyl)methoxy]phenyl]-7-hydroxy-chroman-2-one (4S)-4-[3-[(4-chlorophenyl)metho…

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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)	4.73	0.79	-9.87	1	4	0	56	380.827	4	↓ MOL2 SDF SMILES Flexibase

11803390

Analogs

11993291
11993292

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Popular Name: (4S)-7-hydroxy-4-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]chroman-2-one (4S)-7-hydroxy-4-[4-methoxy-3-(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)	2.50	0.81	-44.35	2	6	1	69	384.452	6	↓ MOL2 SDF SMILES Flexibase

11803393

Analogs

11993291
11993292

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Popular Name: (4R)-7-hydroxy-4-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]chroman-2-one (4R)-7-hydroxy-4-[4-methoxy-3-(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)	2.50	0.81	-43.85	2	6	1	69	384.452	6	↓ MOL2 SDF SMILES Flexibase

11803804

Analogs

11959029
11959034

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2-oxo-4-(4-pentoxyphenyl)chroman-7-yl]oxyacetic 2-[(4S)-2-oxo-4-(4-pentoxyphenyl…

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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	2.77	-50.39	0	6	-1	85	383.42	9	↓ MOL2 SDF SMILES Flexibase

11803806

Analogs

11959029
11959034

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-2-oxo-4-(4-pentoxyphenyl)chroman-7-yl]oxyacetic 2-[(4R)-2-oxo-4-(4-pentoxyphenyl…

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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	2.77	-50.35	0	6	-1	85	383.42	9	↓ MOL2 SDF SMILES Flexibase

11804052

Analogs

11950956
11950960

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[4-(3-dimethylaminopropoxy)-3-ethoxy-phenyl]-7-hydroxy-chroman-2-one (4S)-4-[4-(3-dimethylaminopropox…

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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)	2.75	1.76	-44.8	2	6	1	69	386.468	8	↓ MOL2 SDF SMILES Flexibase

11804056

Analogs

11950956
11950960

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[4-(3-dimethylaminopropoxy)-3-ethoxy-phenyl]-7-hydroxy-chroman-2-one (4R)-4-[4-(3-dimethylaminopropox…

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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)	2.75	1.76	-44.77	2	6	1	69	386.468	8	↓ MOL2 SDF SMILES Flexibase

11804259

Analogs

11993732
11993733

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[3-(2-diethylaminoethoxy)-4-methoxy-phenyl]-7-hydroxy-chroman-2-one (4S)-4-[3-(2-diethylaminoethoxy)…

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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)	2.85	1.92	-42.99	2	6	1	69	386.468	8	↓ MOL2 SDF SMILES Flexibase

11804260

Analogs

11993732
11993733

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Popular Name: (4R)-4-[3-(2-diethylaminoethoxy)-4-methoxy-phenyl]-7-hydroxy-chroman-2-one (4R)-4-[3-(2-diethylaminoethoxy)…

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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)	2.85	2.15	-42.75	2	6	1	69	386.468	8	↓ MOL2 SDF SMILES Flexibase

11804336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-(4-methoxyphenyl)-2-oxo-chroman-7-yl]oxy-2-methyl-propanoic 2-[(4S)-4-(4-methoxyphenyl)-2-ox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	2.81	-49.45	0	6	-1	85	355.366	5	↓ MOL2 SDF SMILES Flexibase

11804338

Analogs

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Popular Name: 2-[(4R)-4-(4-methoxyphenyl)-2-oxo-chroman-7-yl]oxy-2-methyl-propanoic 2-[(4R)-4-(4-methoxyphenyl)-2-ox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	2.81	-48.19	0	6	-1	85	355.366	5	↓ MOL2 SDF SMILES Flexibase

11824401

Analogs

11824406

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-(4-isopropoxy-3-methoxy-phenyl)-2-oxo-chroman-7-yl]oxyacetic 2-[(4S)-4-(4-isopropoxy-3-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)	2.59	3.05	-52.38	0	7	-1	94	385.392	7	↓ MOL2 SDF SMILES Flexibase

11824406

Analogs

11824401

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-(4-isopropoxy-3-methoxy-phenyl)-2-oxo-chroman-7-yl]oxyacetic 2-[(4R)-4-(4-isopropoxy-3-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)	2.59	3.06	-52.34	0	7	-1	94	385.392	7	↓ MOL2 SDF SMILES Flexibase

11824496

Analogs

11824500

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-7-hydroxy-4-(2-phenethyloxyphenyl)chroman-2-one (4R)-7-hydroxy-4-(2-phenethyloxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.24	1.19	-8.78	1	4	0	56	360.409	5	↓ MOL2 SDF SMILES Flexibase

11824500

Analogs

11824496

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-7-hydroxy-4-(2-phenethyloxyphenyl)chroman-2-one (4S)-7-hydroxy-4-(2-phenethyloxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.24	1.19	-8.77	1	4	0	56	360.409	5	↓ MOL2 SDF SMILES Flexibase

11824880

Analogs

11824884
11864330
11864331
11893105
11893110

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-(3-methoxy-4-propoxy-phenyl)-2-oxo-chroman-7-yl]oxyacetic 2-[(4S)-4-(3-methoxy-4-propoxy-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)	2.73	2.85	-52.3	0	7	-1	94	385.392	8	↓ MOL2 SDF SMILES Flexibase

11824884

Analogs

11864330
11864331
11893105
11893110
11994856

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-(3-methoxy-4-propoxy-phenyl)-2-oxo-chroman-7-yl]oxyacetic 2-[(4R)-4-(3-methoxy-4-propoxy-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)	2.73	2.85	-52.32	0	7	-1	94	385.392	8	↓ MOL2 SDF SMILES Flexibase

11825469

Analogs

11825470

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-7-hydroxy-4-[3-(o-tolylmethoxy)phenyl]chroman-2-one (4S)-7-hydroxy-4-[3-(o-tolylmeth…

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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	1.31	-9.78	1	4	0	56	360.409	4	↓ MOL2 SDF SMILES Flexibase

11825470

Analogs

11825469

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-7-hydroxy-4-[3-(o-tolylmethoxy)phenyl]chroman-2-one (4R)-7-hydroxy-4-[3-(o-tolylmeth…

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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	1.31	-10.19	1	4	0	56	360.409	4	↓ MOL2 SDF SMILES Flexibase

11825841

Analogs

11825846
11951355
11951359

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[2-(2-dimethylaminoethoxy)-4-methoxy-phenyl]-7-hydroxy-chroman-2-one (4S)-4-[2-(2-dimethylaminoethoxy…

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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	1.61	-44.22	2	6	1	69	358.414	6	↓ MOL2 SDF SMILES Flexibase

11825846

Analogs

11951355
11951359
11825841

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[2-(2-dimethylaminoethoxy)-4-methoxy-phenyl]-7-hydroxy-chroman-2-one (4R)-4-[2-(2-dimethylaminoethoxy…

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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	1.65	-44.95	2	6	1	69	358.414	6	↓ MOL2 SDF SMILES Flexibase

11825970

Analogs

11825972
11860196
11860197

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-7-hydroxy-4-[4-methoxy-2-(o-tolylmethoxy)phenyl]chroman-2-one (4S)-7-hydroxy-4-[4-methoxy-2-(o…

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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)	4.46	1.45	-10.1	1	5	0	65	390.435	5	↓ MOL2 SDF SMILES Flexibase

11825972

Analogs

11860196
11860197
11825970

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-7-hydroxy-4-[4-methoxy-2-(o-tolylmethoxy)phenyl]chroman-2-one (4R)-7-hydroxy-4-[4-methoxy-2-(o…

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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)	4.46	1.45	-10.13	1	5	0	65	390.435	5	↓ MOL2 SDF SMILES Flexibase

11826505

Analogs

11826508
11860346
11860347

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-7-hydroxy-4-[4-methoxy-2-(m-tolylmethoxy)phenyl]chroman-2-one (4S)-7-hydroxy-4-[4-methoxy-2-(m…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.49	1.41	-10.77	1	5	0	65	390.435	5	↓ MOL2 SDF SMILES Flexibase

11826508

Analogs

11860346
11860347
11826505

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-7-hydroxy-4-[4-methoxy-2-(m-tolylmethoxy)phenyl]chroman-2-one (4R)-7-hydroxy-4-[4-methoxy-2-(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)	4.49	1.41	-10.77	1	5	0	65	390.435	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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Permalink

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Embed Link to Results

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