ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

9421904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methoxyphenyl)-(p-tolyl)BLAHone (2-methoxyphenyl)-(p-tolyl)BLAHone

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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	-0.23	-13.01	0	5	0	51	399.446	3	↓ MOL2 SDF SMILES Flexibase

9421981

Analogs

41669098
41669376

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methoxyphenyl)-methyl-(2-pyridylmethyl)BLAHone (4-methoxyphenyl)-methyl-(2-pyri…

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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)	3.66	10.45	-53.11	1	6	1	66	415.469	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.66	1.4	-131.47	2	6	2	67	416.477	4	↓ MOL2 SDF SMILES Flexibase

9422022

Analogs

8993129

Draw Identity 99% 90% 80% 70%

Popular Name: (2-fluorophenyl)-(4-methoxyphenyl)-BLAHone (2-fluorophenyl)-(4-methoxypheny…

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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)	5.02	0.11	-13.52	0	5	0	51	403.409	3	↓ MOL2 SDF SMILES Flexibase

9422386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methoxyphenyl)-(4-methoxyphenyl)-BLAHone (2-methoxyphenyl)-(4-methoxyphen…

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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	-0.55	-14.43	0	6	0	61	415.445	4	↓ MOL2 SDF SMILES Flexibase

13682198

Analogs

41667518
41667536
41667548
41667572
41667888

Draw Identity 99% 90% 80% 70%

Popular Name: 9-phenethyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-phenethyl-3-phenyl-8,10-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)	4.96	10.01	-11.87	0	4	0	43	383.447	4	↓ MOL2 SDF SMILES Flexibase

13683496

Analogs

41669614
41669662
41669668

Draw Identity 99% 90% 80% 70%

Popular Name: 9-isobutyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-isobutyl-3-phenyl-8,10-dihydro…

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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)	4.28	8.3	-9.75	0	4	0	43	335.403	3	↓ MOL2 SDF SMILES Flexibase

13683911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethoxyphenyl)-9-[(3R)-1,1-dioxothiolan-3-yl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-on 3-(3,4-dimethoxyphenyl)-9-[(3R)-…

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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	3.36	-24.7	0	8	0	95	457.504	4	↓ MOL2 SDF SMILES Flexibase

13683915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethoxyphenyl)-9-[(3S)-1,1-dioxothiolan-3-yl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-on 3-(3,4-dimethoxyphenyl)-9-[(3S)-…

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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	3.68	-25.18	0	8	0	95	457.504	4	↓ MOL2 SDF SMILES Flexibase

13684573

Analogs

41667524
41667536
41667542
41667555
41667578

Draw Identity 99% 90% 80% 70%

Popular Name: 9-benzyl-3-(2-methoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-benzyl-3-(2-methoxyphenyl)-8,1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.56	8.86	-13.67	0	5	0	52	399.446	4	↓ MOL2 SDF SMILES Flexibase

41667518

Analogs

13655712
12442604
12442382

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[2-(4-fluorophenyl)ethyl]-3-(2-methoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-[2-(4-fluorophenyl)ethyl]-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)	5.13	9.7	-13.77	0	5	0	52	431.463	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.13	12.55	-61.44	1	5	1	53	432.471	5	↓ MOL2 SDF SMILES Flexibase

41667524

Analogs

13684573

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-9-(p-tolylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(2-methoxyphenyl)-9-(p-tolylme…

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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)	5.01	9.45	-11.96	0	5	0	52	413.473	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.01	12.3	-53.19	1	5	1	53	414.481	4	↓ MOL2 SDF SMILES Flexibase

41667530

Analogs

13655712
13689895

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-[2-(3,4-dimethoxyphenyl)ethyl]…

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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)	4.61	8.83	-16.79	0	7	0	70	473.525	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.61	11.68	-63.28	1	7	1	72	474.533	7	↓ MOL2 SDF SMILES Flexibase

41667536

Analogs

13655712
12442604
20647332

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-9-[2-(4-methoxyphenyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(2-methoxyphenyl)-9-[2-(4-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)	5.02	8.91	-13.61	0	6	0	61	443.499	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.02	11.77	-58.5	1	6	1	62	444.507	6	↓ MOL2 SDF SMILES Flexibase

41667542

Analogs

13570451
13684573
13728346

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(4-chlorophenyl)methyl]-3-(2-methoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-[(4-chlorophenyl)methyl]-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)	5.24	9.31	-13.35	0	5	0	52	433.891	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.24	12.14	-59.19	1	5	1	53	434.899	4	↓ MOL2 SDF SMILES Flexibase

41667548

Analogs

13655712
12442604
13682198

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-[2-(4-chlorophenyl)ethyl]-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)	5.64	10.15	-13.07	0	5	0	52	447.918	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.64	13.01	-60.16	1	5	1	53	448.926	5	↓ MOL2 SDF SMILES Flexibase

41667555

Analogs

13570451
20649753

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-[(2,4-dichlorophenyl)methyl]-3…

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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)	5.85	9.91	-13.99	0	5	0	52	468.336	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.85	12.66	-55.3	1	5	1	53	469.344	4	↓ MOL2 SDF SMILES Flexibase

41667561

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-[(3,4-dichlorophenyl)methyl]-3…

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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)	5.85	9.76	-14.06	0	5	0	52	468.336	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.85	12.6	-62.45	1	5	1	53	469.344	4	↓ MOL2 SDF SMILES Flexibase

41667567

Analogs

13655712
12442604

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-[2-(2,4-dichlorophenyl)ethyl]-…

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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)	6.25	10.54	-13.44	0	5	0	52	482.363	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.25	13.41	-57.93	1	5	1	53	483.371	5	↓ MOL2 SDF SMILES Flexibase

41667572

Analogs

13655712
12442604
13570451

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[2-(2-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-[2-(2-chlorophenyl)ethyl]-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)	5.60	10.03	-13.13	0	5	0	52	447.918	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.60	12.89	-53.67	1	5	1	53	448.926	5	↓ MOL2 SDF SMILES Flexibase

41667578

Analogs

13684573
13728346
13721890

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-9-[(4-methoxyphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(2-methoxyphenyl)-9-[(4-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)	4.62	8.07	-13.82	0	6	0	61	429.472	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.62	10.92	-56.73	1	6	1	62	430.48	5	↓ MOL2 SDF SMILES Flexibase

41667581

Analogs

20648709
23127905

Draw Identity 99% 90% 80% 70%

Popular Name: 9-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-(1,3-benzodioxol-5-ylmethyl)-3…

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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	7.44	-16.06	0	7	0	70	443.455	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.45	10.29	-61.88	1	7	1	72	444.463	4	↓ MOL2 SDF SMILES Flexibase

41667588

Analogs

13684573

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-9-[(2-methoxyphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(2-methoxyphenyl)-9-[(2-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)	4.57	8.24	-13.15	0	6	0	61	429.472	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.57	11.11	-48.55	1	6	1	62	430.48	5	↓ MOL2 SDF SMILES Flexibase

41667592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[2-(4-fluorophenyl)ethyl]-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4- 9-[2-(4-fluorophenyl)ethyl]-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)	5.35	10.35	-14.66	0	5	0	52	445.49	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.35	13.2	-62.06	1	5	1	53	446.498	5	↓ MOL2 SDF SMILES Flexibase

41667600

Analogs

9476914

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-2-methyl-9-(p-tolylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(2-methoxyphenyl)-2-methyl-9-(…

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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)	5.23	10.12	-13.22	0	5	0	52	427.5	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.23	12.96	-54.04	1	5	1	53	428.508	4	↓ MOL2 SDF SMILES Flexibase

41667606

Analogs

12408696

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxaz 9-[2-(3,4-dimethoxyphenyl)ethyl]…

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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)	4.84	9.48	-17.7	0	7	0	70	487.552	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.84	12.33	-63.87	1	7	1	72	488.56	7	↓ MOL2 SDF SMILES Flexibase

41667610

Analogs

13570451

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(2-chlorophenyl)methyl]-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-o 9-[(2-chlorophenyl)methyl]-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)	5.41	10.05	-14.12	0	5	0	52	447.918	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.41	12.8	-50.55	1	5	1	53	448.926	4	↓ MOL2 SDF SMILES Flexibase

41667616

Analogs

12409052
13655712
12322295

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-9-[2-(4-methoxyphenyl)ethyl]-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4 3-(2-methoxyphenyl)-9-[2-(4-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)	5.25	9.58	-14.94	0	6	0	61	457.526	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.25	12.43	-59.44	1	6	1	62	458.534	6	↓ MOL2 SDF SMILES Flexibase

41667622

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-o 9-[(4-fluorophenyl)methyl]-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)	4.95	9.5	-14.85	0	5	0	52	431.463	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.95	12.36	-60.86	1	5	1	53	432.471	4	↓ MOL2 SDF SMILES Flexibase

41667628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(4-chlorophenyl)methyl]-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-o 9-[(4-chlorophenyl)methyl]-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)	5.46	9.95	-14.19	0	5	0	52	447.918	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.46	12.81	-59.74	1	5	1	53	448.926	4	↓ MOL2 SDF SMILES Flexibase

41667633

Analogs

20648709
12323529

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazi 9-[(3,4-dimethoxyphenyl)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)	4.43	8.63	-17.53	0	7	0	70	473.525	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.43	11.5	-61.7	1	7	1	72	474.533	6	↓ MOL2 SDF SMILES Flexibase

41667639

Analogs

13655712

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4- 9-[2-(4-chlorophenyl)ethyl]-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)	5.87	10.8	-14.01	0	5	0	52	461.945	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.87	13.65	-60.79	1	5	1	53	462.953	5	↓ MOL2 SDF SMILES Flexibase

41667644

Analogs

13570451

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin 9-[(2,4-dichlorophenyl)methyl]-3…

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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)	6.07	10.57	-14.71	0	5	0	52	482.363	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.07	13.31	-55.57	1	5	1	53	483.371	4	↓ MOL2 SDF SMILES Flexibase

41667650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin 9-[(3,4-dichlorophenyl)methyl]-3…

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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)	6.07	10.4	-14.9	0	5	0	52	482.363	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.07	13.27	-63.07	1	5	1	53	483.371	4	↓ MOL2 SDF SMILES Flexibase

41667655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazi 9-[2-(2,4-dichlorophenyl)ethyl]-…

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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)	6.47	11.2	-14.17	0	5	0	52	496.39	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.47	14.06	-58.36	1	5	1	53	497.398	5	↓ MOL2 SDF SMILES Flexibase

41667659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[2-(2-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4- 9-[2-(2-chlorophenyl)ethyl]-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)	5.82	10.69	-13.95	0	5	0	52	461.945	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.82	13.55	-54.12	1	5	1	53	462.953	5	↓ MOL2 SDF SMILES Flexibase

41667666

Analogs

13723476
13723474

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-2-methyl-9-[(1S)-1-phenylethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(2-methoxyphenyl)-2-methyl-9-[…

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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)	5.34	10.49	-12.41	0	5	0	52	427.5	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.34	12.95	-49.88	1	5	1	53	428.508	4	↓ MOL2 SDF SMILES Flexibase

41667672

Analogs

13723476
13723474

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-2-methyl-9-[(1R)-1-phenylethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(2-methoxyphenyl)-2-methyl-9-[…

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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)	5.34	10.33	-12.74	0	5	0	52	427.5	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.34	12.93	-49.39	1	5	1	53	428.508	4	↓ MOL2 SDF SMILES Flexibase

41667678

Analogs

12442473
12391127
12442470

Draw Identity 99% 90% 80% 70%

Popular Name: 9-cyclopropyl-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-cyclopropyl-3-(2-methoxyphenyl…

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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)	3.75	7.12	-12.1	0	5	0	52	363.413	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.75	10.08	-47.47	1	5	1	53	364.421	3	↓ MOL2 SDF SMILES Flexibase

41667684

Analogs

13735836
13734627

Draw Identity 99% 90% 80% 70%

Popular Name: 9-cyclopentyl-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-cyclopentyl-3-(2-methoxyphenyl…

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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)	4.78	8.28	-11.66	0	5	0	52	391.467	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.78	11.26	-49.05	1	5	1	53	392.475	3	↓ MOL2 SDF SMILES Flexibase

41667690

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-cyclohexyl-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-cyclohexyl-3-(2-methoxyphenyl)…

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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)	5.29	8.75	-11.62	0	5	0	52	405.494	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.29	11.73	-49.42	1	5	1	53	406.502	3	↓ MOL2 SDF SMILES Flexibase

41667697

Analogs

12442562
12442677
12322628

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-9-(3-methoxypropyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(2-methoxyphenyl)-9-(3-methoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.64	6.34	-13.91	0	6	0	61	395.455	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.64	9.19	-54.05	1	6	1	62	396.463	6	↓ MOL2 SDF SMILES Flexibase

41667703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-benzyl-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-benzyl-3-(2-methoxyphenyl)-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)	4.78	9.44	-13.29	0	5	0	52	413.473	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.78	12.29	-54.09	1	5	1	53	414.481	4	↓ MOL2 SDF SMILES Flexibase

41667709

Analogs

12442604
13655712

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-9-[2-(2-methoxyphenyl)ethyl]-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4 3-(2-methoxyphenyl)-9-[2-(2-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)	5.20	9.64	-14.42	0	6	0	61	457.526	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.20	12.5	-53.37	1	6	1	62	458.534	6	↓ MOL2 SDF SMILES Flexibase

41667714

Analogs

9047357
9047360
9047121
9047123
13655278

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-2-methyl-9-[[(2S)-tetrahydrofuran-2-yl]methyl]-8,10-dihydropyrano[2,3-f][1,3]ben 3-(2-methoxyphenyl)-2-methyl-9-[…

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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)	3.76	6.9	-14.74	0	6	0	61	407.466	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.76	9.76	-50.56	1	6	1	62	408.474	4	↓ MOL2 SDF SMILES Flexibase

41667720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-2-methyl-9-[[(2R)-tetrahydrofuran-2-yl]methyl]-8,10-dihydropyrano[2,3-f][1,3]ben 3-(2-methoxyphenyl)-2-methyl-9-[…

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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)	3.76	6.84	-14.67	0	6	0	61	407.466	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.76	9.75	-50.67	1	6	1	62	408.474	4	↓ MOL2 SDF SMILES Flexibase

41667725

Analogs

13720965

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-2-methyl-9-(3-morpholinopropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(2-methoxyphenyl)-2-methyl-9-(…

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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	5.77	-14.12	0	7	0	64	450.535	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.53	8.6	-56.77	1	7	1	66	451.543	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.53	8.04	-52.5	1	7	1	66	451.543	6	↓ MOL2 SDF SMILES Flexibase

41667731

Analogs

9476914
12409052
12322295

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-9-[(4-methoxyphenyl)methyl]-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4- 3-(2-methoxyphenyl)-9-[(4-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)	4.84	8.73	-15.15	0	6	0	61	443.499	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.84	11.59	-57.71	1	6	1	62	444.507	5	↓ MOL2 SDF SMILES Flexibase

41667737

Analogs

20648709
12323529

Draw Identity 99% 90% 80% 70%

Popular Name: 9-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin 9-(1,3-benzodioxol-5-ylmethyl)-3…

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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	8.1	-17	0	7	0	70	457.482	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.67	10.95	-62.45	1	7	1	72	458.49	4	↓ MOL2 SDF SMILES Flexibase

41667743

Analogs

12391127

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-9-[(2-methoxyphenyl)methyl]-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4- 3-(2-methoxyphenyl)-9-[(2-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)	4.79	8.87	-14.43	0	6	0	61	443.499	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.79	11.75	-49.57	1	6	1	62	444.507	5	↓ MOL2 SDF SMILES Flexibase

41667749

Analogs

13736258
13687824
13726242

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[2-(4-fluorophenyl)ethyl]-3-(2-methoxyphenyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]be 9-[2-(4-fluorophenyl)ethyl]-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)	6.26	10.55	-11.79	0	5	0	52	499.46	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.26	13.39	-58.5	1	5	1	53	500.468	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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SQL Query Was

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