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ZINC Item

Suppliers, Protomers, & Similar Substances

44830118

Analogs

44830121
59570748

Draw Identity 99% 90% 80% 70%

Popular Name: (2-Methyl-4,5-dihydrobenzo[b]imidazo[4,5-d]azepin-6(1H)-yl)(4-nitrophenyl)methanone (2-Methyl-4,5-dihydrobenzo[b]imi…

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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)	3.01	10.22	-39.19	2	7	1	96	349.37	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.01	9.8	-12.89	1	7	0	95	348.362	2	↓ MOL2 SDF SMILES Flexibase

44830121

Analogs

44830118

Draw Identity 99% 90% 80% 70%

Popular Name: (4-Aminophenyl)(2-methyl-4,5-dihydrobenzo[b]imidazo[4,5-d]azepin-6(1H)-yl)methanone (4-Aminophenyl)(2-methyl-4,5-dih…

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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)	2.13	7.37	-35.88	4	5	1	76	319.388	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.13	6.95	-15.17	3	5	0	75	318.38	1	↓ MOL2 SDF SMILES Flexibase

59819534

Analogs

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Popular Name: 3-chloro-12-cyclohexyl-5-[2-(1-piperidyl)ethyl]-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylic 3-chloro-12-cyclohexyl-5-[2-(1-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)	7.31	18.98	-73.58	1	5	0	53	506.09	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	7.31	16.76	-53.09	0	5	-1	52	505.082	5	↓ MOL2 SDF SMILES Flexibase

49543097

Analogs

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Popular Name: (6-methoxy-1H-indol-3-yl)-[methoxy(methyl)BLAHyl]methanone (6-methoxy-1H-indol-3-yl)-[metho…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.03	7.88	-16.53	1	7	0	73	406.438	4	↓ MOL2 SDF SMILES Flexibase

49543132

Analogs

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Popular Name: (4-aminophenyl)-[methoxy(methyl)BLAHyl]methanone (4-aminophenyl)-[methoxy(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)	2.69	7.03	-13.18	2	6	0	74	352.39	3	↓ MOL2 SDF SMILES Flexibase

49543156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethoxy-N-[4-[methoxy(methyl)BLAHcarbonyl]phenyl]benzamide 3,4-dimethoxy-N-[4-[methoxy(meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.15	10.42	-23.24	1	9	0	96	516.55	7	↓ MOL2 SDF SMILES Flexibase

49543162

Analogs

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Popular Name: 1H-indol-3-yl-[methoxy(methyl)BLAHyl]methanone 1H-indol-3-yl-[methoxy(methyl)BL…

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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)	3.00	8.6	-16.65	1	6	0	64	376.412	3	↓ MOL2 SDF SMILES Flexibase

49543186

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1,2-dimethylindol-3-yl)-[methoxy(methyl)BLAHyl]methanone (1,2-dimethylindol-3-yl)-[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)	3.29	12.23	-18	0	6	0	53	404.466	3	↓ MOL2 SDF SMILES Flexibase

49543188

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-methoxy-2-methyl-1H-indol-3-yl)-[methoxy(methyl)BLAHyl]methanone (5-methoxy-2-methyl-1H-indol-3-y…

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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)	3.25	8.71	-15.4	1	7	0	73	420.465	4	↓ MOL2 SDF SMILES Flexibase

49543190

Analogs

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Popular Name: 1-[4-[methoxy(methyl)BLAHcarbonyl]phenyl]-3-phenyl-urea 1-[4-[methoxy(methyl)BLAHcarbony…

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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)	4.82	10.38	-16.31	2	8	0	89	471.513	5	↓ MOL2 SDF SMILES Flexibase

49543204

Analogs

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Popular Name: N-[4-[methoxy(methyl)BLAHcarbonyl]phenyl]-2-phenoxy-acetamide N-[4-[methoxy(methyl)BLAHcarbony…

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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)	4.47	11.67	-23.49	1	8	0	86	486.524	7	↓ MOL2 SDF SMILES Flexibase

49543207

Analogs

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Popular Name: N-[4-[methoxy(methyl)BLAHcarbonyl]phenyl]propanamide N-[4-[methoxy(methyl)BLAHcarbony…

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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)	3.67	8.91	-14.9	1	7	0	77	408.454	5	↓ MOL2 SDF SMILES Flexibase

49543229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[4-[methoxy(methyl)BLAHcarbonyl]phenyl]benzamide 4-methoxy-N-[4-[methoxy(methyl)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)	4.56	10.5	-20.21	1	8	0	86	486.524	6	↓ MOL2 SDF SMILES Flexibase

49543248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[4-[methoxy(methyl)BLAHcarbonyl]phenyl]benzamide 2-methoxy-N-[4-[methoxy(methyl)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)	5.06	11.64	-22.95	1	8	0	86	486.524	6	↓ MOL2 SDF SMILES Flexibase

49543299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[methoxy(methyl)BLAHcarbonyl]phenyl]-2-(2-methoxyphenoxy)acetamide N-[4-[methoxy(methyl)BLAHcarbony…

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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)	4.09	11.42	-27.07	1	9	0	96	516.55	8	↓ MOL2 SDF SMILES Flexibase

49543335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[4-[methoxy(methyl)BLAHcarbonyl]phenyl]pyridine-3-carboxamide 6-chloro-N-[4-[methoxy(methyl)BL…

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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)	4.29	9.84	-19.04	1	8	0	90	491.931	5	↓ MOL2 SDF SMILES Flexibase

49543376

Analogs

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Popular Name: N-[4-[methoxy(methyl)BLAHcarbonyl]phenyl]-2-methyl-propanamide N-[4-[methoxy(methyl)BLAHcarbony…

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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)	3.91	9.57	-14.36	1	7	0	77	422.481	5	↓ MOL2 SDF SMILES Flexibase

49543378

Analogs

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Popular Name: N-[4-[methoxy(methyl)BLAHcarbonyl]phenyl]cyclopentanecarboxamide N-[4-[methoxy(methyl)BLAHcarbony…

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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)	4.58	10.75	-18.8	1	7	0	77	448.519	5	↓ MOL2 SDF SMILES Flexibase

49543380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-methoxy-1H-indol-3-yl)-[methoxy(methyl)BLAHyl]methanone (5-methoxy-1H-indol-3-yl)-[metho…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.03	7.88	-20.29	1	7	0	73	406.438	4	↓ MOL2 SDF SMILES Flexibase

49543381

Analogs

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Popular Name: ethyl 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)	1.87	7.11	-9.33	0	7	0	74	333.34	5	↓ MOL2 SDF SMILES Flexibase

49543385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[methoxy(methyl)BLAHcarbonyl]phenyl]acetamide N-[4-[methoxy(methyl)BLAHcarbony…

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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)	2.83	8.1	-15.26	1	7	0	77	394.427	4	↓ MOL2 SDF SMILES Flexibase

49543426

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-fluoro-2-methyl-1H-indol-3-yl)-[methoxy(methyl)BLAHyl]methanone (5-fluoro-2-methyl-1H-indol-3-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.39	9.49	-13.84	1	6	0	64	408.429	3	↓ MOL2 SDF SMILES Flexibase

49543437

Analogs

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Popular Name: N-[4-[methoxy(methyl)BLAHcarbonyl]phenyl]-3-methyl-butanamide N-[4-[methoxy(methyl)BLAHcarbony…

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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	10.27	-14.17	1	7	0	77	436.508	6	↓ MOL2 SDF SMILES Flexibase

49543443

Analogs

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Popular Name: N-[4-[methoxy(methyl)BLAHcarbonyl]phenyl]-3-phenyl-propanamide N-[4-[methoxy(methyl)BLAHcarbony…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.11	12.67	-18.71	1	7	0	77	484.552	7	↓ MOL2 SDF SMILES Flexibase

49543454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [methoxy(methyl)BLAHyl]-(2-methyl-1H-indol-3-yl)methanone [methoxy(methyl)BLAHyl]-(2-methy…

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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)	3.22	9.42	-12.98	1	6	0	64	390.439	3	↓ MOL2 SDF SMILES Flexibase

49543472

Analogs

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Popular Name: 7-(7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepine-4-carbonyl)-4H-1,4-benzoxazin-3-one 7-(7,8-dimethoxy-2,2,3-trimethyl…

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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)	3.22	7.82	-13.08	1	7	0	77	422.481	4	↓ MOL2 SDF SMILES Flexibase

49543519

Analogs

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Popular Name: (7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(1,2-dimethylindol-3-yl)methanone (7,8-dimethoxy-2,2,3-trimethyl-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)	4.63	13.11	-13.61	0	5	0	44	418.537	4	↓ MOL2 SDF SMILES Flexibase

49543541

Analogs

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Popular Name: (4-chlorophenyl)-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)methanone (4-chlorophenyl)-(7,8-dimethoxy-…

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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)	4.06	10.79	-9.41	0	4	0	39	357.837	4	↓ MOL2 SDF SMILES Flexibase

49543581

Analogs

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Popular Name: (4-bromophenyl)-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)methanone (4-bromophenyl)-(7,8-dimethoxy-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)	4.19	10.89	-9.34	0	4	0	39	402.288	4	↓ MOL2 SDF SMILES Flexibase

49543622

Analogs

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Popular Name: (4-bromophenyl)-(7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)methanone (4-bromophenyl)-(7,8-dimethoxy-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)	5.00	11.2	-9.36	0	4	0	39	430.342	4	↓ MOL2 SDF SMILES Flexibase

49543693

Analogs

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Popular Name: (3,4-dimethoxyphenyl)-(7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)methanone (3,4-dimethoxyphenyl)-(7,8-dimet…

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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)	3.84	9.81	-12.27	0	6	0	57	411.498	6	↓ MOL2 SDF SMILES Flexibase

49544027

Analogs

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Popular Name: (2,4-dichlorophenyl)-(7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)methanone (2,4-dichlorophenyl)-(7,8-dimeth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.48	11.85	-9.22	0	4	0	39	420.336	4	↓ MOL2 SDF SMILES Flexibase

49547808

Analogs

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Popular Name: (7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(4-fluorophenyl)methanone (7,8-dimethoxy-3-methyl-1,2-dihy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.55	10.34	-9.66	0	4	0	39	341.382	4	↓ MOL2 SDF SMILES Flexibase

49548720

Analogs

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Popular Name: (7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(4-fluorophenyl)methanone (7,8-dimethoxy-2,2,3-trimethyl-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)	4.36	10.65	-9.79	0	4	0	39	369.436	4	↓ MOL2 SDF SMILES Flexibase

49549727

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Popular Name: (4-chlorophenyl)-(7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)methanone (4-chlorophenyl)-(7,8-dimethoxy-…

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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)	4.87	11.1	-9.46	0	4	0	39	385.891	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 12963
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 12963 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=12963&filter.purchasability=annotated

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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', {
        "ring.id": "12963"        

    });
</script>

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