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ZINC Item

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12855299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3,5,6-tetrafluoro-4-methoxy-N-[2-(p-tolyl)benzotriazol-5-yl]benzamide 2,3,5,6-tetrafluoro-4-methoxy-N-…

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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)	4.37	8.66	-11.29	1	6	0	69	430.361	4	↓ MOL2 SDF SMILES Flexibase

12855313

Analogs

14272736

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3,5,6-tetrafluoro-4-methoxy-N-(6-methyl-2-phenyl-benzotriazol-5-yl)benzamide 2,3,5,6-tetrafluoro-4-methoxy-N-…

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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)	4.30	8.85	-15.19	1	6	0	69	430.361	4	↓ MOL2 SDF SMILES Flexibase

12855324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3,4-dimethoxybenzamide N-[2-(4-ethylphenyl)-6-methyl-2H…

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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	10.01	-20.16	1	7	0	78	416.481	6	↓ MOL2 SDF SMILES Flexibase

12855331

Analogs

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Popular Name: 3-chloro-N-[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]-4-methyl-benzamide 3-chloro-N-[2-(4-isopropylphenyl…

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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	12.37	-17.91	1	5	0	60	418.928	4	↓ MOL2 SDF SMILES Flexibase

12855339

Analogs

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Popular Name: 3-isopropoxy-N-[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]benzamide 3-isopropoxy-N-[2-(4-isopropylph…

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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	12.17	-19.37	1	6	0	69	428.536	6	↓ MOL2 SDF SMILES Flexibase

12855603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-butylphenyl)benzotriazol-5-yl]-3-fluoro-benzamide N-[2-(4-butylphenyl)benzotriazol…

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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)	5.50	11.57	-11.15	1	5	0	60	388.446	6	↓ MOL2 SDF SMILES Flexibase

12855610

Analogs

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Popular Name: N-[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]-2-methoxy-benzamide N-[2-(4-isopropylphenyl)-6-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)	5.94	11.7	-19.99	1	6	0	69	400.482	5	↓ MOL2 SDF SMILES Flexibase

12855617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]benzamide 4-fluoro-N-[2-(4-isopropylphenyl…

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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)	5.55	11.34	-16.24	1	5	0	60	388.446	4	↓ MOL2 SDF SMILES Flexibase

12855620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]benzamide 2-fluoro-N-[2-(4-isopropylphenyl…

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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)	5.50	11.34	-21.15	1	5	0	60	388.446	4	↓ MOL2 SDF SMILES Flexibase

22704021

Analogs

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Popular Name: 2,4-dichloro-N-[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]benzamide 2,4-dichloro-N-[2-(4-diethylamin…

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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)	6.01	12.77	-53.33	2	6	0	64	469.396	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.01	12.68	-18.08	1	6	0	63	468.388	6	↓ MOL2 SDF SMILES Flexibase

22704025

Analogs

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Popular Name: 2,3-dichloro-N-[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]benzamide 2,3-dichloro-N-[2-(4-diethylamin…

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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)	5.99	12.72	-56.35	2	6	0	64	469.396	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.99	12.63	-20.71	1	6	0	63	468.388	6	↓ MOL2 SDF SMILES Flexibase

22704029

Analogs

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Popular Name: 2,5-dichloro-N-[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]benzamide 2,5-dichloro-N-[2-(4-diethylamin…

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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)	6.01	12.8	-49.83	2	6	0	64	469.396	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.01	12.69	-16.22	1	6	0	63	468.388	6	↓ MOL2 SDF SMILES Flexibase

22704033

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dichloro-N-[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]benzamide 3,4-dichloro-N-[2-(4-diethylamin…

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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)	6.01	12.73	-50.66	2	6	0	64	469.396	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.01	12.62	-18.12	1	6	0	63	468.388	6	↓ MOL2 SDF SMILES Flexibase

22707781

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-butoxy-N-[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]benzamide 3-butoxy-N-[2-(4-diethylaminophe…

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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	13.57	-54.68	2	7	0	73	472.613	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.20	13.47	-19.96	1	7	0	72	471.605	10	↓ MOL2 SDF SMILES Flexibase

22709891

Analogs

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Popular Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-3,4-dichloro-benzamide N-[2-(4-butylphenyl)-6-chloro-be…

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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)	7.25	13.03	-13.6	1	5	0	60	473.791	6	↓ MOL2 SDF SMILES Flexibase

22709895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-2,3-dichloro-benzamide N-[2-(4-butylphenyl)-6-chloro-be…

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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)	7.23	13.04	-16.1	1	5	0	60	473.791	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	7.30	12.25	-43.73	0	5	-1	66	472.783	6	↓ MOL2 SDF SMILES Flexibase

22709899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-2,4-dichloro-benzamide N-[2-(4-butylphenyl)-6-chloro-be…

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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)	7.25	13.09	-13.51	1	5	0	60	473.791	6	↓ MOL2 SDF SMILES Flexibase

22709902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-2,5-dichloro-benzamide N-[2-(4-butylphenyl)-6-chloro-be…

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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)	7.25	13.14	-12.1	1	5	0	60	473.791	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	7.32	12.31	-42.32	0	5	-1	66	472.783	6	↓ MOL2 SDF SMILES Flexibase

22710248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-3,5-dinitro-benzamide N-[2-(4-butylphenyl)-6-methyl-be…

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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)	5.58	13.61	-20.46	1	11	0	151	474.477	8	↓ MOL2 SDF SMILES Flexibase

22714166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]-4-ethoxy-benzamide 3-chloro-N-[2-(4-diethylaminophe…

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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	12.55	-53.37	2	7	0	73	479.004	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.77	12.44	-20.27	1	7	0	72	477.996	8	↓ MOL2 SDF SMILES Flexibase

22714283

Analogs

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Popular Name: 4-bromo-N-[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]benzamide 4-bromo-N-[2-(4-diethylaminophen…

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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)	5.54	12.38	-50.06	2	6	0	64	479.402	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.54	12.28	-16.48	1	6	0	63	478.394	6	↓ MOL2 SDF SMILES Flexibase

22715470

Analogs

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Popular Name: 4-chloro-N-[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide 4-chloro-N-[2-(4-diethylaminophe…

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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	12.83	-55.4	2	9	0	110	479.948	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.29	12.73	-24.13	1	9	0	109	478.94	7	↓ MOL2 SDF SMILES Flexibase

22716610

Analogs

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Popular Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-4-methoxy-3-nitro-benzamide N-[2-(4-butylphenyl)-6-chloro-be…

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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	12.84	-22.95	1	9	0	115	479.924	8	↓ MOL2 SDF SMILES Flexibase

22740573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-3,5-dichloro-2-methoxy-benzamide N-[2-(4-butylphenyl)-6-methyl-be…

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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)	7.55	13.81	-17.93	1	6	0	69	483.399	7	↓ MOL2 SDF SMILES Flexibase

22741257

Analogs

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Popular Name: 3-bromo-N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]benzamide 3-bromo-N-[2-(4-butylphenyl)-6-c…

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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)	6.75	12.7	-11.13	1	5	0	60	483.797	6	↓ MOL2 SDF SMILES Flexibase

22741261

Analogs

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Popular Name: 4-bromo-N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]benzamide 4-bromo-N-[2-(4-butylphenyl)-6-c…

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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)	6.78	12.69	-12.15	1	5	0	60	483.797	6	↓ MOL2 SDF SMILES Flexibase

22741266

Analogs

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Popular Name: 2-bromo-N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]benzamide 2-bromo-N-[2-(4-butylphenyl)-6-c…

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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)	6.73	12.69	-14.46	1	5	0	60	483.797	6	↓ MOL2 SDF SMILES Flexibase

22741487

Analogs

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Popular Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-4-chloro-3-nitro-benzamide N-[2-(4-butylphenyl)-6-chloro-be…

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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	13.1	-19.37	1	8	0	106	484.343	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.60	12.32	-41.14	0	8	-1	112	483.335	7	↓ MOL2 SDF SMILES Flexibase

22741491

Analogs

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Popular Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-2-chloro-5-nitro-benzamide N-[2-(4-butylphenyl)-6-chloro-be…

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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	13.29	-13	1	8	0	106	484.343	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.60	12.46	-41.7	0	8	-1	112	483.335	7	↓ MOL2 SDF SMILES Flexibase

22741495

Analogs

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Popular Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-2-chloro-4-nitro-benzamide N-[2-(4-butylphenyl)-6-chloro-be…

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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	13.28	-16.16	1	8	0	106	484.343	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.60	12.46	-37.04	0	8	-1	112	483.335	7	↓ MOL2 SDF SMILES Flexibase

22745585

Analogs

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Popular Name: N-[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]-3,5-diethoxy-benzamide N-[2-(4-diethylaminophenyl)-6-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)	5.52	12.2	-55.72	2	8	0	83	488.612	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.52	12.13	-17.9	1	8	0	82	487.604	10	↓ MOL2 SDF SMILES Flexibase

22746394

Analogs

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Popular Name: N-[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]-4-ethoxy-3-nitro-benzamide N-[2-(4-diethylaminophenyl)-6-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)	5.05	13.46	-61.93	2	10	0	119	489.556	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.05	13.37	-27.57	1	10	0	118	488.548	9	↓ MOL2 SDF SMILES Flexibase

22751567

Analogs

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Popular Name: 3-bromo-N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-4-methoxy-benzamide 3-bromo-N-[2-(4-butylphenyl)-6-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)	6.53	12.27	-22.36	1	6	0	69	493.405	7	↓ MOL2 SDF SMILES Flexibase

22754202

Analogs

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Popular Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-2,3,4,5,6-pentafluoro-benzamide N-[2-(4-butylphenyl)-6-chloro-be…

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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)	6.50	12.22	-10.29	1	5	0	60	494.851	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.57	11.25	-39.02	0	5	-1	66	493.843	6	↓ MOL2 SDF SMILES Flexibase

22758483

Analogs

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Popular Name: 5-bromo-N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-chloro-benzamide 5-bromo-N-[2-(4-butylphenyl)-6-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)	7.15	13.42	-17.25	1	5	0	60	497.824	6	↓ MOL2 SDF SMILES Flexibase

1131940

Analogs

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Popular Name: N-(6-chloro-2-phenyl-benzotriazol-5-yl)-4-ethyl-benzamide N-(6-chloro-2-phenyl-benzotriazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.02	1.13	-12.27	1	5	0	59	376.847	4	↓ MOL2 SDF SMILES Flexibase

14258086

Analogs

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Popular Name: 2-methoxy-3-methyl-N-(2-phenylbenzotriazol-5-yl)benzamide 2-methoxy-3-methyl-N-(2-phenylbe…

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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	9.62	-14.98	1	6	0	69	358.401	4	↓ MOL2 SDF SMILES Flexibase

14258093

Analogs

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Popular Name: N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3,4-dimethyl-benzamide N-[2-(4-fluorophenyl)benzotriazo…

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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)	4.49	9.75	-11.28	1	5	0	60	360.392	3	↓ MOL2 SDF SMILES Flexibase

14258095

Analogs

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Popular Name: 3-fluoro-N-[6-methyl-2-(p-tolyl)benzotriazol-5-yl]benzamide 3-fluoro-N-[6-methyl-2-(p-tolyl)…

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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)	4.46	10.09	-15.4	1	5	0	60	360.392	3	↓ MOL2 SDF SMILES Flexibase

14258114

Analogs

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Popular Name: N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]benzamide N-[2-(4-fluorophenyl)-6-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)	4.04	9.42	-15.36	1	5	0	60	346.365	3	↓ MOL2 SDF SMILES Flexibase

14258117

Analogs

8335519

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Popular Name: N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-methyl-benzamide N-[2-(4-fluorophenyl)-6-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)	4.46	10.09	-15.46	1	5	0	60	360.392	3	↓ MOL2 SDF SMILES Flexibase

4551466

Analogs

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Popular Name: 3-chloro-4-methoxy-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide 3-chloro-4-methoxy-N-(2-phenyl-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)	4.16	0.56	-15.94	1	6	0	69	378.819	4	↓ MOL2 SDF SMILES Flexibase

5197813

Analogs

8590948

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Popular Name: N-[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]-4-tert-butyl-benzamide N-[2-(3-chloro-4-methyl-phenyl)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)	6.47	1.92	-11.7	1	5	0	59	418.928	4	↓ MOL2 SDF SMILES Flexibase

5197844

Analogs

5072992

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Popular Name: 3,5-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-benzamide 3,5-dimethoxy-N-[2-(4-methoxyphe…

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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)	3.60	0.66	-14.11	1	8	0	87	404.426	6	↓ MOL2 SDF SMILES Flexibase

5198814

Analogs

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Popular Name: N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methoxy-benzamide N-[2-(4-chlorophenyl)benzotriazo…

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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)	4.23	0.51	-12	1	6	0	69	378.819	4	↓ MOL2 SDF SMILES Flexibase

5200224

Analogs

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Popular Name: N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3,4-dimethoxy-benzamide N-[2-(4-ethoxyphenyl)benzotriazo…

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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)	3.58	1	-15.86	1	8	0	87	418.453	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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