ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.68	15.82	-58.83	2	8	-1	112	575.689	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.68	16.27	-57.52	3	8	0	113	576.697	5	↓ MOL2 SDF SMILES Flexibase

59819419

Analogs

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Popular Name: 13-cyclohexyl-4-(2-morpholinoethoxy)-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic 13-cyclohexyl-4-(2-morpholinoeth…

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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)	5.16	12.34	-59.09	0	7	-1	76	489.592	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.16	14.6	-84.58	1	7	0	77	490.6	6	↓ MOL2 SDF SMILES Flexibase

59819420

Analogs

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Popular Name: 13-cyclohexyl-3-[(5-methylisoxazol-3-yl)methoxy]-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbo 13-cyclohexyl-3-[(5-methylisoxaz…

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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	14.04	-58.51	0	7	-1	90	471.533	5	↓ MOL2 SDF SMILES Flexibase

59819425

Analogs

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Popular Name: 13-cyclohexyl-N-(4-hydroxycyclohexyl)-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxamide 13-cyclohexyl-N-(4-hydroxycycloh…

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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)	5.04	10.96	-14.27	2	5	0	63	458.602	3	↓ MOL2 SDF SMILES Flexibase

59819430

Analogs

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Popular Name: 13-cyclohexyl-N-[2-(4-hydroxyphenyl)-1,1-dimethyl-ethyl]-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine- 13-cyclohexyl-N-[2-(4-hydroxyphe…

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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)	6.89	13.42	-13.89	2	5	0	63	508.662	5	↓ MOL2 SDF SMILES Flexibase

59819431

Analogs

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Popular Name: 13-cyclohexyl-4-[ethyl-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]amino]-6,7-dihydroindolo[1,2-d][1,4]be 13-cyclohexyl-4-[ethyl-[2-(4-eth…

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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)	5.52	18.06	-86.39	1	8	0	82	558.723	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.52	15.85	-56.65	0	8	-1	81	557.715	7	↓ MOL2 SDF SMILES Flexibase

59819437

Analogs

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Popular Name: 13-cyclohexyl-N-[1-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-ethyl]-3-methoxy-6,7-dihydroind 13-cyclohexyl-N-[1-[6-(hydroxyme…

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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)	6.10	11.26	-15.64	3	8	0	101	578.713	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.10	11.7	-39.41	4	8	1	103	579.721	6	↓ MOL2 SDF SMILES Flexibase

59819441

Analogs

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Popular Name: 13-cyclohexyl-3-[2-(methoxycarbonylamino)phenoxy]-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carb 13-cyclohexyl-3-[2-(methoxycarbo…

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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)	6.86	14.16	-57.26	1	8	-1	102	525.581	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.49	12.27	-101.15	0	8	-2	108	524.573	6	↓ MOL2 SDF SMILES Flexibase

59819443

Analogs

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Popular Name: N-[1-[5-(4-carbamoylphenyl)-1H-imidazol-2-yl]-1-methyl-ethyl]-13-cyclohexyl-3-methoxy-6,7-dihydroind N-[1-[5-(4-carbamoylphenyl)-1H-i…

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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)	5.78	12.22	-19.37	4	9	0	124	617.75	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.78	12.69	-55.83	5	9	1	126	618.758	7	↓ MOL2 SDF SMILES Flexibase

59819446

Analogs

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Popular Name: 13-cyclohexyl-3-[(5-methylsulfonyl-2-morpholino-phenyl)methoxy]-6,7-dihydroindolo[1,2-d][1,4]benzoxa 13-cyclohexyl-3-[(5-methylsulfon…

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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	14.59	-64.78	0	9	-1	110	629.755	7	↓ MOL2 SDF SMILES Flexibase

59819448

Analogs

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Popular Name: 2-[4-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)amino]phenyl]acetic 2-[4-[(13-cyclohexyl-6,7-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)	5.88	15.84	-57.13	1	6	-1	83	493.583	5	↓ MOL2 SDF SMILES Flexibase

59819451

Analogs

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Popular Name: N-(4-benzyloxyphenyl)-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxamide N-(4-benzyloxyphenyl)-13-cyclohe…

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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)	8.10	17.74	-14.67	1	5	0	53	542.679	6	↓ MOL2 SDF SMILES Flexibase

59819454

Analogs

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Popular Name: (E)-3-[4-[[2-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)-(2-methoxyethyl (E)-3-[4-[[2-[(13-cyclohexyl-6,7…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.66	16.68	-63.88	1	9	-1	113	620.726	10	↓ MOL2 SDF SMILES Flexibase

59819461

Analogs

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Popular Name: 13-cyclohexyl-N-[(1S)-2-(2-hydroxyethylamino)-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-3-methoxy-6,7 13-cyclohexyl-N-[(1S)-2-(2-hydro…

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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	8.1	-22.21	4	9	0	122	597.712	9	↓ MOL2 SDF SMILES Flexibase

59819465

Analogs

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Popular Name: 13-cyclohexyl-N-[(1R)-2-(2-hydroxyethylamino)-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-3-methoxy-6,7 13-cyclohexyl-N-[(1R)-2-(2-hydro…

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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	8.11	-23.49	4	9	0	122	597.712	9	↓ MOL2 SDF SMILES Flexibase

59819468

Analogs

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Popular Name: 2-[4-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)amino]-4-(hydroxymethyl) 2-[4-[(13-cyclohexyl-6,7-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)	2.95	12.46	-43.45	3	8	0	108	531.653	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.95	10.32	-54.93	2	8	-1	107	530.645	6	↓ MOL2 SDF SMILES Flexibase

59819478

Analogs

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Popular Name: 13-cyclohexyl-4-[3-(hydroxymethyl)phenyl]-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic 13-cyclohexyl-4-[3-(hydroxymethy…

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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)	6.53	14.05	-56.79	1	5	-1	75	466.557	4	↓ MOL2 SDF SMILES Flexibase

59819482

Analogs

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Popular Name: 13-cyclohexyl-4-methoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic 13-cyclohexyl-4-methoxy-6,7-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)	5.29	12.78	-56.88	0	5	-1	64	390.459	3	↓ MOL2 SDF SMILES Flexibase

59819489

Analogs

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Popular Name: 13-cyclohexyl-3-[2-(methoxycarbonylamino)ethoxy]-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbo 13-cyclohexyl-3-[2-(methoxycarbo…

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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)	5.14	11.04	-61	1	8	-1	102	477.537	7	↓ MOL2 SDF SMILES Flexibase

59819498

Analogs

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Popular Name: 13-cyclohexyl-N-methyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxamide 13-cyclohexyl-N-methyl-6,7-dihyd…

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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)	4.76	10.73	-12.31	1	4	0	43	374.484	2	↓ MOL2 SDF SMILES Flexibase

59819502

Analogs

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Popular Name: 13-cyclohexyl-4-[2-(1-cyclopentyl-4-piperidyl)ethoxy]-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10- 13-cyclohexyl-4-[2-(1-cyclopenty…

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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)	7.94	20.09	-84.76	1	6	0	68	556.747	7	↓ MOL2 SDF SMILES Flexibase

59819505

Analogs

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Popular Name: 6-[[2-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)amino]-2-methyl-propyl] 6-[[2-[(13-cyclohexyl-6,7-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)	5.72	15.22	-52.58	3	8	0	110	552.675	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.72	14.75	-55.16	2	8	-1	108	551.667	7	↓ MOL2 SDF SMILES Flexibase

59819509

Analogs

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Popular Name: 1-[1-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)amino]cyclobutanecarbony 1-[1-[(13-cyclohexyl-6,7-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)	4.86	16.06	-68.03	1	8	-1	104	568.694	5	↓ MOL2 SDF SMILES Flexibase

59819512

Analogs

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Popular Name: 13-cyclohexyl-4-(3-pyridyl)-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic 13-cyclohexyl-4-(3-pyridyl)-6,7-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.15	14.99	-55.87	0	5	-1	67	437.519	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.15	15.44	-82.64	1	5	0	68	438.527	3	↓ MOL2 SDF SMILES Flexibase

59819515

Analogs

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Popular Name: 1-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)amino]cyclopropanecarboxyli 1-[(13-cyclohexyl-6,7-dihydroind…

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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)	4.44	13.72	-65.88	1	6	-1	83	443.523	4	↓ MOL2 SDF SMILES Flexibase

59819517

Analogs

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Popular Name: (2S)-3-(4-acetamidophenyl)-2-[(13-cyclohexyl-3-methoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10 (2S)-3-(4-acetamidophenyl)-2-[(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)	3.59	14.68	-70.92	2	9	-1	122	594.688	8	↓ MOL2 SDF SMILES Flexibase

59819520

Analogs

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Popular Name: (2R)-3-(4-acetamidophenyl)-2-[(13-cyclohexyl-3-methoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10 (2R)-3-(4-acetamidophenyl)-2-[(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)	3.59	14.73	-66.66	2	9	-1	122	594.688	8	↓ MOL2 SDF SMILES Flexibase

59819531

Analogs

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Popular Name: 13-cyclohexyl-4-[2-(methoxymethyl)phenyl]-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic 13-cyclohexyl-4-[2-(methoxymethy…

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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)	7.13	16.63	-56.11	0	5	-1	64	480.584	5	↓ MOL2 SDF SMILES Flexibase

59819537

Analogs

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Popular Name: 13-cyclohexyl-4-[2-[(1-methyl-4-piperidyl)oxy]ethoxy]-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10- 13-cyclohexyl-4-[2-[(1-methyl-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)	4.86	16.49	-83.23	1	7	0	77	518.654	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.86	14.12	-59.73	0	7	-1	76	517.646	7	↓ MOL2 SDF SMILES Flexibase

59819539

Analogs

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Popular Name: 13-cyclohexyl-N-[(1S)-2-(4-hydroxyphenyl)-1-thiazol-2-yl-ethyl]-3-methoxy-6,7-dihydroindolo[1,2-d][1 13-cyclohexyl-N-[(1S)-2-(4-hydro…

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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	12.95	-16.27	2	7	0	86	593.749	7	↓ MOL2 SDF SMILES Flexibase

59819540

Analogs

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Popular Name: 13-cyclohexyl-N-[(1R)-2-(4-hydroxyphenyl)-1-thiazol-2-yl-ethyl]-3-methoxy-6,7-dihydroindolo[1,2-d][1 13-cyclohexyl-N-[(1R)-2-(4-hydro…

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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	12.95	-16.14	2	7	0	86	593.749	7	↓ MOL2 SDF SMILES Flexibase

59819544

Analogs

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Popular Name: 13-cyclohexyl-N-[1-methyl-1-(1-methylbenzimidazol-2-yl)ethyl]-6,7-dihydroindolo[1,2-d][1,4]benzoxaze 13-cyclohexyl-N-[1-methyl-1-(1-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)	6.83	16.41	-14.08	1	6	0	61	532.688	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.83	16.82	-33.72	2	6	1	62	533.696	4	↓ MOL2 SDF SMILES Flexibase

59819547

Analogs

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Popular Name: 13-cyclohexyl-4-[[(1S)-1-ethyl-3-(1-piperidyl)propyl]amino]-6,7-dihydroindolo[1,2-d][1,4]benzoxazepi 13-cyclohexyl-4-[[(1S)-1-ethyl-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)	8.02	17.8	-82.03	2	6	0	71	529.725	8	↓ MOL2 SDF SMILES Flexibase

59819549

Analogs

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Popular Name: 13-cyclohexyl-4-[[(1R)-1-ethyl-3-(1-piperidyl)propyl]amino]-6,7-dihydroindolo[1,2-d][1,4]benzoxazepi 13-cyclohexyl-4-[[(1R)-1-ethyl-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)	8.02	18.27	-84.8	2	6	0	71	529.725	8	↓ MOL2 SDF SMILES Flexibase

59819552

Analogs

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Popular Name: 4-[2-[1-[(13-cyclohexyl-3-methoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)amino]-1-me 4-[2-[1-[(13-cyclohexyl-3-methox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.87	15.97	-56.23	2	9	-1	121	617.726	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.87	16.44	-78.58	3	9	0	123	618.734	7	↓ MOL2 SDF SMILES Flexibase

59819558

Analogs

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Popular Name: 13-cyclohexyl-N-[1-(2-hydroxyethylcarbamoyl)cyclobutyl]-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-1 13-cyclohexyl-N-[1-(2-hydroxyeth…

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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)	3.96	8.7	-21.55	3	7	0	93	501.627	6	↓ MOL2 SDF SMILES Flexibase

59819560

Analogs

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Popular Name: 4-[[2-[(13-cyclohexyl-3-methoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)amino]-2-meth 4-[[2-[(13-cyclohexyl-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)	6.31	14.32	-59.17	2	9	-1	122	594.688	7	↓ MOL2 SDF SMILES Flexibase

59819561

Analogs

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Popular Name: 13-cyclohexyl-N-[1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-1-methyl-ethyl]-6,7-dihydroindolo[1,2-d][1 13-cyclohexyl-N-[1-[5-(4-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)	6.98	15.44	-13.39	2	7	0	81	574.725	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.98	15.91	-44.91	3	7	1	82	575.733	6	↓ MOL2 SDF SMILES Flexibase

59819565

Analogs

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Popular Name: (1S,2R)-2-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)amino]cyclohexaneca (1S,2R)-2-[(13-cyclohexyl-6,7-di…

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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)	5.77	15.36	-55.64	1	6	-1	83	485.604	4	↓ MOL2 SDF SMILES Flexibase

59819569

Analogs

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Popular Name: (1S,2S)-2-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)amino]cyclohexaneca (1S,2S)-2-[(13-cyclohexyl-6,7-di…

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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)	5.77	15.43	-55.75	1	6	-1	83	485.604	4	↓ MOL2 SDF SMILES Flexibase

59819572

Analogs

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Popular Name: (1R,2R)-2-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)amino]cyclohexaneca (1R,2R)-2-[(13-cyclohexyl-6,7-di…

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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)	5.77	14.98	-56.75	1	6	-1	83	485.604	4	↓ MOL2 SDF SMILES Flexibase

59819574

Analogs

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Popular Name: (1R,2S)-2-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)amino]cyclohexaneca (1R,2S)-2-[(13-cyclohexyl-6,7-di…

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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)	5.77	15.85	-55.84	1	6	-1	83	485.604	4	↓ MOL2 SDF SMILES Flexibase

59819581

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)	5.63	13.88	-15.75	1	7	0	73	515.654	5	↓ MOL2 SDF SMILES Flexibase

59819583

Analogs

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Popular Name: 2-[(13-cyclohexyl-3-methoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)amino]-2-methyl-p 2-[(13-cyclohexyl-3-methoxy-6,7-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.87	12.21	-47.4	1	7	-1	93	475.565	5	↓ MOL2 SDF SMILES Flexibase

59819588

Analogs

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Popular Name: methyl 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)	6.94	14.57	-16.91	2	9	0	107	606.723	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.94	15	-44.54	3	9	1	109	607.731	7	↓ MOL2 SDF SMILES Flexibase

59819590

Analogs

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Popular Name: 13-cyclohexyl-4-[2-(1-piperidyl)ethyl]-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic 13-cyclohexyl-4-[2-(1-piperidyl)…

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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	17.68	-81.05	1	5	0	59	472.629	5	↓ MOL2 SDF SMILES Flexibase

59819593

Analogs

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Popular Name: 3-[2-[1-[(13-cyclohexyl-3-methoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)amino]-1-me 3-[2-[1-[(13-cyclohexyl-3-methox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.71	16.07	-52.43	2	9	-1	121	619.742	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.71	14.09	-16.93	3	9	0	118	620.75	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.71	16.53	-64.16	3	9	0	123	620.75	8	↓ 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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