ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

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

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

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

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

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

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

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

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

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

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

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

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

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

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

41667756

Analogs

13736258

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-9-(p-tolylmethyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4 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)	6.14	10.3	-10.07	0	5	0	52	481.47	5	↓ MOL2 SDF SMILES Flexibase

41667762

Analogs

13736258
13726242
13687824

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(2-chlorophenyl)methyl]-3-(2-methoxyphenyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]ben 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)	6.33	10.25	-11.31	0	5	0	52	501.888	5	↓ MOL2 SDF SMILES Flexibase

41667775

Analogs

13736258
13723913
13687824

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]ben 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)	5.86	9.69	-11.51	0	5	0	52	485.433	5	↓ MOL2 SDF SMILES Flexibase

41667780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(4-chlorophenyl)methyl]-3-(2-methoxyphenyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]ben 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)	6.37	10.16	-10.79	0	5	0	52	501.888	5	↓ MOL2 SDF SMILES Flexibase

41667803

Analogs

13726242
13736258
13687824

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-9-[(1S)-1-phenylethyl]-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxa 3-(2-methoxyphenyl)-9-[(1S)-1-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)	6.25	10.67	-9.09	0	5	0	52	481.47	5	↓ MOL2 SDF SMILES Flexibase

41667809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-9-[(1R)-1-phenylethyl]-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxa 3-(2-methoxyphenyl)-9-[(1R)-1-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)	6.25	10.53	-10.24	0	5	0	52	481.47	5	↓ MOL2 SDF SMILES Flexibase

41667869

Analogs

13736258
13687824
13726242

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]be 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)	5.75	8.92	-11.82	0	6	0	61	497.469	6	↓ MOL2 SDF SMILES Flexibase

41667882

Analogs

13736258

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-9-[(2-methoxyphenyl)methyl]-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]be 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)	5.70	9.09	-11.46	0	6	0	61	497.469	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.70	11.96	-45.63	1	6	1	62	498.477	6	↓ MOL2 SDF SMILES Flexibase

41667892

Analogs

13734039

Draw Identity 99% 90% 80% 70%

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

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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)	5.00	10.12	-11.24	0	4	0	43	383.447	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.00	12.97	-53.91	1	4	1	44	384.455	3	↓ MOL2 SDF SMILES Flexibase

41667903

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	5.18	10.08	-12.23	0	4	0	43	403.865	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.18	12.82	-50.7	1	4	1	44	404.873	3	↓ MOL2 SDF SMILES Flexibase

41667909

Analogs

13734039
12442382

Draw Identity 99% 90% 80% 70%

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

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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)	4.72	9.53	-13.03	0	4	0	43	387.41	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.72	12.37	-60.94	1	4	1	44	388.418	3	↓ MOL2 SDF SMILES Flexibase

41667915

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	9.98	-12.33	0	4	0	43	403.865	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.23	12.82	-59.82	1	4	1	44	404.873	3	↓ MOL2 SDF SMILES Flexibase

41667932

Analogs

13691162
13570451
13692368

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(2,4-dichlorophenyl)methyl]-3-phenyl-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)	5.84	10.59	-12.9	0	4	0	43	438.31	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.84	13.33	-55.89	1	4	1	44	439.318	3	↓ MOL2 SDF SMILES Flexibase

41667938

Analogs

13691162
13692368
13734039

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(3,4-dichlorophenyl)methyl]-3-phenyl-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)	5.84	10.43	-13.06	0	4	0	43	438.31	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.84	13.28	-63.24	1	4	1	44	439.318	3	↓ MOL2 SDF SMILES Flexibase

41667964

Analogs

13734039

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(2-methoxyphenyl)methyl]-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-[(2-methoxyphenyl)methyl]-3-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)	4.56	8.9	-12.25	0	5	0	52	399.446	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.56	11.78	-49.19	1	5	1	53	400.454	4	↓ MOL2 SDF SMILES Flexibase

41667975

Analogs

9476914
12390361
12391127
12391499
12321671

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-3-phenyl-9-(p-tolylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 2-methyl-3-phenyl-9-(p-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)	5.22	10.74	-10.95	0	4	0	43	397.474	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.22	13.58	-53.24	1	4	1	44	398.482	3	↓ MOL2 SDF SMILES Flexibase

41667988

Analogs

9476914
12390361
12391127
12321671
12391499

Draw Identity 99% 90% 80% 70%

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

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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	10.67	-11.64	0	4	0	43	417.892	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.41	13.42	-49.47	1	4	1	44	418.9	3	↓ MOL2 SDF SMILES Flexibase

41668000

Analogs

9476914
12390361

Draw Identity 99% 90% 80% 70%

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

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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)	4.94	10.12	-12.58	0	4	0	43	401.437	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.94	12.98	-60.08	1	4	1	44	402.445	3	↓ MOL2 SDF SMILES Flexibase

41668005

Analogs

9476914
12390361
12391127

Draw Identity 99% 90% 80% 70%

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

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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)	5.45	10.57	-11.88	0	4	0	43	417.892	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.45	13.43	-58.9	1	4	1	44	418.9	3	↓ MOL2 SDF SMILES Flexibase

41668011

Analogs

12390955
9476914
12323529
12408696
12321671

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 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)	4.42	9.24	-15.34	0	6	0	61	443.499	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.42	12.12	-61.04	1	6	1	62	444.507	5	↓ MOL2 SDF SMILES Flexibase

41668035

Analogs

9476914
12390361
12391127

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(2,4-dichlorophenyl)methyl]-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-[(2,4-dichlorophenyl)methyl]-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)	6.06	11.19	-12.24	0	4	0	43	452.337	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.06	13.93	-54.55	1	4	1	44	453.345	3	↓ MOL2 SDF SMILES Flexibase

41668041

Analogs

9476914
12390361
12391127

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(3,4-dichlorophenyl)methyl]-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-[(3,4-dichlorophenyl)methyl]-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)	6.06	11.02	-12.78	0	4	0	43	452.337	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.06	13.89	-62.44	1	4	1	44	453.345	3	↓ MOL2 SDF SMILES Flexibase

41668058

Analogs

12390361
12321671
12391127
9476914
12442473

Draw Identity 99% 90% 80% 70%

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

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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)	5.33	11.11	-10.05	0	4	0	43	397.474	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.33	13.57	-48.96	1	4	1	44	398.482	3	↓ MOL2 SDF SMILES Flexibase

41668064

Analogs

12390361
12321671
12391127
9476914
12442473

Draw Identity 99% 90% 80% 70%

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

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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)	5.33	10.94	-10.24	0	4	0	43	397.474	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.33	13.55	-48.22	1	4	1	44	398.482	3	↓ MOL2 SDF SMILES Flexibase

41668081

Analogs

9476914
12390361
12391127
12391499
12321671

Draw Identity 99% 90% 80% 70%

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

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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	10.05	-10.94	0	4	0	43	383.447	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.78	12.91	-53.26	1	4	1	44	384.455	3	↓ MOL2 SDF SMILES Flexibase

41668103

Analogs

9476914
12390361
12391127
12391499
12321671

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(2-methoxyphenyl)methyl]-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-[(2-methoxyphenyl)methyl]-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)	4.78	9.49	-11.96	0	5	0	52	413.473	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.78	12.37	-48.59	1	5	1	53	414.481	4	↓ MOL2 SDF SMILES Flexibase

41668115

Analogs

13726888
13733891

Draw Identity 99% 90% 80% 70%

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

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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)	6.14	10.97	-7.7	0	4	0	43	451.444	4	↓ MOL2 SDF SMILES Flexibase

41668126

Analogs

13726888
13691810

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(2-chlorophenyl)methyl]-3-phenyl-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-o 9-[(2-chlorophenyl)methyl]-3-phe…

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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)	6.32	10.97	-8.84	0	4	0	43	471.862	4	↓ MOL2 SDF SMILES Flexibase

41668138

Analogs

36351288
13726888

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(4-fluorophenyl)methyl]-3-phenyl-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-o 9-[(4-fluorophenyl)methyl]-3-phe…

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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	10.37	-9.13	0	4	0	43	455.407	4	↓ MOL2 SDF SMILES Flexibase

41668145

Analogs

13687973
13691810

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(4-chlorophenyl)methyl]-3-phenyl-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-o 9-[(4-chlorophenyl)methyl]-3-phe…

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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)	6.37	10.82	-8.49	0	4	0	43	471.862	4	↓ MOL2 SDF SMILES Flexibase

41668151

Analogs

13733891
13726888

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-2-(trifluoromethyl)-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)	5.33	9.48	-12.24	0	6	0	61	497.469	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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