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ZINC Item

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64980118

Analogs

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Popular Name: 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(3-chlorophenyl)-1,2,4-oxad…

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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)	6.05	10.8	-12.87	0	5	0	61	419.893	2	↓ MOL2 SDF SMILES Flexibase

64980121

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(4-chlorophenyl)-1,2,4-oxad…

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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)	6.08	10.82	-11.87	0	5	0	61	419.893	2	↓ MOL2 SDF SMILES Flexibase

64980122

Analogs

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Popular Name: 2-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(2-bromophenyl)-1,2,4-oxadi…

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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)	6.16	10.82	-14.53	0	5	0	61	464.344	2	↓ MOL2 SDF SMILES Flexibase

64980123

Analogs

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Popular Name: 5-methyl-2-[5-(2-methyl-3-nitro-phenyl)-1,2,4-oxadiazol-3-yl]benzo[b][1,4]benzothiazepin-6-one 5-methyl-2-[5-(2-methyl-3-nitro-…

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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)	5.71	11.39	-16.3	0	8	0	107	444.472	3	↓ MOL2 SDF SMILES Flexibase

64980124

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(3-bromophenyl)-1,2,4-oxadi…

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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)	6.18	10.92	-12.85	0	5	0	61	464.344	2	↓ MOL2 SDF SMILES Flexibase

64980125

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-[5-(3-methyl-4-nitro-phenyl)-1,2,4-oxadiazol-3-yl]benzo[b][1,4]benzothiazepin-6-one 5-methyl-2-[5-(3-methyl-4-nitro-…

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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)	5.73	11.63	-14.08	0	8	0	107	444.472	3	↓ MOL2 SDF SMILES Flexibase

64980126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]benzo[b][1,4]benzothiazepin-6-one 5-methyl-2-[5-(3-nitrophenyl)-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)	5.33	11.01	-17.48	0	8	0	107	430.445	3	↓ MOL2 SDF SMILES Flexibase

64980127

Analogs

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Popular Name: 2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(3,4-dichlorophenyl)-1,2,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.68	11.27	-12.26	0	5	0	61	454.338	2	↓ MOL2 SDF SMILES Flexibase

64980132

Analogs

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Popular Name: 2-[5-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(3-fluoro-4-methyl-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)	5.94	11.02	-12.52	0	5	0	61	417.465	2	↓ MOL2 SDF SMILES Flexibase

64980133

Analogs

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Popular Name: 5-methyl-2-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzo[b][1,4]benzothiazepin-6-one 5-methyl-2-[5-[4-(trifluoromethy…

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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)	6.29	11.31	-12.33	0	5	0	61	453.445	3	↓ MOL2 SDF SMILES Flexibase

64980134

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(2-chlorophenyl)-1,2,4-oxad…

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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)	6.03	10.72	-14.63	0	5	0	61	419.893	2	↓ MOL2 SDF SMILES Flexibase

64980142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-5-ethyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(3-chlorophenyl)-1,2,4-oxad…

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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)	6.43	11.69	-12.99	0	5	0	61	433.92	3	↓ MOL2 SDF SMILES Flexibase

64980146

Analogs

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Popular Name: 2-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-5-ethyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(3,5-dimethylphenyl)-1,2,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.60	12.5	-12.52	0	5	0	61	427.529	3	↓ MOL2 SDF SMILES Flexibase

64980151

Analogs

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Popular Name: 5-ethyl-2-[5-(m-tolyl)-1,2,4-oxadiazol-3-yl]benzo[b][1,4]benzothiazepin-6-one 5-ethyl-2-[5-(m-tolyl)-1,2,4-oxa…

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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)	6.20	11.84	-12.78	0	5	0	61	413.502	3	↓ MOL2 SDF SMILES Flexibase

64980152

Analogs

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Popular Name: 5-ethyl-2-[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]benzo[b][1,4]benzothiazepin-6-one 5-ethyl-2-[5-(p-tolyl)-1,2,4-oxa…

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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)	6.22	11.85	-12.63	0	5	0	61	413.502	3	↓ MOL2 SDF SMILES Flexibase

64980153

Analogs

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Popular Name: 5-ethyl-2-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]benzo[b][1,4]benzothiazepin-6-one 5-ethyl-2-[5-(3,4,5-trimethoxyph…

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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	10.32	-14.87	0	8	0	89	489.553	6	↓ MOL2 SDF SMILES Flexibase

64980154

Analogs

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Popular Name: 2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-5-ethyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(4-chlorophenyl)-1,2,4-oxad…

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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)	6.45	11.7	-11.9	0	5	0	61	433.92	3	↓ MOL2 SDF SMILES Flexibase

64980155

Analogs

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Popular Name: 2-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-5-ethyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(2-bromophenyl)-1,2,4-oxadi…

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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)	6.54	11.7	-14.58	0	5	0	61	478.371	3	↓ MOL2 SDF SMILES Flexibase

64980156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-5-ethyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(2,4-dimethylphenyl)-1,2,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.60	12.25	-12.53	0	5	0	61	427.529	3	↓ MOL2 SDF SMILES Flexibase

64980159

Analogs

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Popular Name: 2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-5-ethyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(4-ethoxyphenyl)-1,2,4-oxad…

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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)	6.21	11.41	-12.95	0	6	0	70	443.528	5	↓ MOL2 SDF SMILES Flexibase

64980165

Analogs

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Popular Name: 2-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-5-ethyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(3,4-diethoxyphenyl)-1,2,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.17	12.23	-14.71	0	7	0	79	487.581	7	↓ MOL2 SDF SMILES Flexibase

64980167

Analogs

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Popular Name: N-[3-[3-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide N-[3-[3-(5-ethyl-6-oxo-benzo[b][…

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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)	4.97	10.06	-21.73	1	7	0	90	456.527	4	↓ MOL2 SDF SMILES Flexibase

64980168

Analogs

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Popular Name: 2-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-5-ethyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(3-bromophenyl)-1,2,4-oxadi…

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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)	6.56	11.79	-12.94	0	5	0	61	478.371	3	↓ MOL2 SDF SMILES Flexibase

64980171

Analogs

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Popular Name: 5-ethyl-2-[5-(3-methyl-4-nitro-phenyl)-1,2,4-oxadiazol-3-yl]benzo[b][1,4]benzothiazepin-6-one 5-ethyl-2-[5-(3-methyl-4-nitro-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)	6.11	12.49	-14.22	0	8	0	107	458.499	4	↓ MOL2 SDF SMILES Flexibase

64980172

Analogs

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Popular Name: 5-ethyl-2-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]benzo[b][1,4]benzothiazepin-6-one 5-ethyl-2-[5-(3-nitrophenyl)-1,2…

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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)	5.71	11.88	-17.66	0	8	0	107	444.472	4	↓ MOL2 SDF SMILES Flexibase

64980173

Analogs

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Popular Name: 2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-ethyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(3,4-dichlorophenyl)-1,2,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.06	12.14	-12.39	0	5	0	61	468.365	3	↓ MOL2 SDF SMILES Flexibase

64980179

Analogs

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Popular Name: 5-ethyl-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzo[b][1,4]benzothiazepin-6-one 5-ethyl-2-[5-[2-(trifluoromethyl…

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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)	6.62	12.01	-16.97	0	5	0	61	467.472	4	↓ MOL2 SDF SMILES Flexibase

64980180

Analogs

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Popular Name: 2-[5-(3-chloro-4-fluoro-phenyl)-1,2,4-oxadiazol-3-yl]-5-ethyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(3-chloro-4-fluoro-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)	6.54	11.73	-12.77	0	5	0	61	451.91	3	↓ MOL2 SDF SMILES Flexibase

64980181

Analogs

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Popular Name: 5-ethyl-2-[5-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-3-yl]benzo[b][1,4]benzothiazepin-6-one 5-ethyl-2-[5-(3-fluoro-4-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)	6.31	11.89	-13.28	0	5	0	61	431.492	3	↓ MOL2 SDF SMILES Flexibase

64980182

Analogs

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Popular Name: 5-ethyl-2-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzo[b][1,4]benzothiazepin-6-one 5-ethyl-2-[5-[4-(trifluoromethyl…

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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)	6.67	12.18	-12.46	0	5	0	61	467.472	4	↓ MOL2 SDF SMILES Flexibase

64980188

Analogs

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Popular Name: 4-[3-(6-oxo-5-propyl-benzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile 4-[3-(6-oxo-5-propyl-benzo[b][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)	6.03	12.34	-15.1	0	6	0	85	438.512	4	↓ MOL2 SDF SMILES Flexibase

64980190

Analogs

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Popular Name: 2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-5-propyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(3,5-dimethoxyphenyl)-1,2,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.32	10.55	-13.83	0	7	0	79	473.554	6	↓ MOL2 SDF SMILES Flexibase

64980192

Analogs

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Popular Name: 2-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-5-propyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-[3-(dimethylamino)phenyl]-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)	6.36	12.32	-13.06	0	6	0	64	456.571	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.36	13.11	-45.98	1	6	0	65	457.579	5	↓ MOL2 SDF SMILES Flexibase

64980193

Analogs

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Popular Name: 2-[5-(4-dimethylaminophenyl)-1,2,4-oxadiazol-3-yl]-5-propyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(4-dimethylaminophenyl)-1,2…

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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)	6.38	12.32	-13.46	0	6	0	64	456.571	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.38	13.11	-46.18	1	6	0	65	457.579	5	↓ MOL2 SDF SMILES Flexibase

64980201

Analogs

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Popular Name: 2-[5-(m-tolyl)-1,2,4-oxadiazol-3-yl]-5-propyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(m-tolyl)-1,2,4-oxadiazol-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)	6.70	12.61	-12.67	0	5	0	61	427.529	4	↓ MOL2 SDF SMILES Flexibase

64980202

Analogs

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Popular Name: 5-propyl-2-[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]benzo[b][1,4]benzothiazepin-6-one 5-propyl-2-[5-(p-tolyl)-1,2,4-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)	6.72	12.62	-12.49	0	5	0	61	427.529	4	↓ MOL2 SDF SMILES Flexibase

64980203

Analogs

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Popular Name: 5-propyl-2-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]benzo[b][1,4]benzothiazepin-6-one 5-propyl-2-[5-(3,4,5-trimethoxyp…

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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)	5.91	11.08	-14.82	0	8	0	89	503.58	7	↓ MOL2 SDF SMILES Flexibase

64980205

Analogs

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Popular Name: 2-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-5-propyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(4-bromophenyl)-1,2,4-oxadi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.09	12.56	-11.62	0	5	0	61	492.398	4	↓ MOL2 SDF SMILES Flexibase

64980206

Analogs

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Popular Name: 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-5-propyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(4-methoxyphenyl)-1,2,4-oxa…

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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	11.24	-13.09	0	6	0	70	443.528	5	↓ MOL2 SDF SMILES Flexibase

64980208

Analogs

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Popular Name: 2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(4-fluorophenyl)-1,2,4-oxad…

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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)	6.44	12	-12.13	0	5	0	61	431.492	4	↓ MOL2 SDF SMILES Flexibase

64980209

Analogs

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Popular Name: 2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-5-propyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(4-chlorophenyl)-1,2,4-oxad…

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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)	6.95	12.46	-11.79	0	5	0	61	447.947	4	↓ MOL2 SDF SMILES Flexibase

64980210

Analogs

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Popular Name: 2-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-5-propyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(2-bromophenyl)-1,2,4-oxadi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.04	12.46	-14.5	0	5	0	61	492.398	4	↓ MOL2 SDF SMILES Flexibase

64980211

Analogs

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Popular Name: 2-[5-(2-methyl-3-nitro-phenyl)-1,2,4-oxadiazol-3-yl]-5-propyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(2-methyl-3-nitro-phenyl)-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)	6.59	13.03	-16.31	0	8	0	107	472.526	5	↓ MOL2 SDF SMILES Flexibase

64980213

Analogs

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Popular Name: 2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-5-propyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(4-ethoxyphenyl)-1,2,4-oxad…

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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)	6.71	12.17	-12.81	0	6	0	70	457.555	6	↓ MOL2 SDF SMILES Flexibase

64980215

Analogs

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Popular Name: 2-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-5-propyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(2-methoxyphenyl)-1,2,4-oxa…

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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)	6.29	12.12	-15.85	0	6	0	70	443.528	5	↓ MOL2 SDF SMILES Flexibase

64980217

Analogs

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Popular Name: 2-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-5-propyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(3,4-diethoxyphenyl)-1,2,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.67	13	-14.65	0	7	0	79	501.608	8	↓ MOL2 SDF SMILES Flexibase

64980218

Analogs

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Popular Name: N-[3-[3-(6-oxo-5-propyl-benzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide N-[3-[3-(6-oxo-5-propyl-benzo[b]…

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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)	5.47	10.83	-21.51	1	7	0	90	470.554	5	↓ MOL2 SDF SMILES Flexibase

64980220

Analogs

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Popular Name: 2-[5-(3-methyl-4-nitro-phenyl)-1,2,4-oxadiazol-3-yl]-5-propyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(3-methyl-4-nitro-phenyl)-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)	6.61	13.25	-14.04	0	8	0	107	472.526	5	↓ MOL2 SDF SMILES Flexibase

64980221

Analogs

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Popular Name: 2-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]-5-propyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(3-nitrophenyl)-1,2,4-oxadi…

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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)	6.21	12.64	-17.49	0	8	0	107	458.499	5	↓ MOL2 SDF SMILES Flexibase

64980222

Analogs

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Popular Name: 2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-propyl-benzo[b][1,4]benzothiazepin-6-one 2-[5-(3,4-dichlorophenyl)-1,2,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.56	12.91	-12.17	0	5	0	61	482.392	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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