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)	4.68	13.31	-59.32	3	7	0	76	473.626	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.68	13.21	-25.64	2	7	0	75	472.618	8	↓ MOL2 SDF SMILES Flexibase

22708510

Analogs

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Popular Name: N-[[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-methyl-benzamide N-[[2-(4-diethylaminophenyl)-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)	4.73	13.5	-60.84	3	7	0	76	473.626	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.73	13.39	-26.69	2	7	0	75	472.618	8	↓ MOL2 SDF SMILES Flexibase

22709681

Analogs

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Popular Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide N-[[2-(4-butylphenyl)-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)	5.35	12.7	-34.2	2	7	0	81	473.602	9	↓ MOL2 SDF SMILES Flexibase

22709690

Analogs

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Popular Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide N-[[2-(4-butylphenyl)-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)	5.85	13.81	-35.88	2	7	0	81	473.602	9	↓ MOL2 SDF SMILES Flexibase

22711779

Analogs

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Popular Name: N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,6-dimethoxy-benzamide N-[[2-(4-ethylphenyl)-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)	4.36	10.41	-34.14	2	8	0	90	475.574	8	↓ MOL2 SDF SMILES Flexibase

22712833

Analogs

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Popular Name: N-[[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-fluoro-benzamide N-[[2-(4-diethylaminophenyl)-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)	4.42	12.88	-65.37	3	7	0	76	477.589	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.42	12.79	-29.46	2	7	0	75	476.581	8	↓ MOL2 SDF SMILES Flexibase

22713725

Analogs

9190246

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Popular Name: 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide 2,6-dimethoxy-N-[[2-(4-methoxyph…

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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)	3.50	8.24	-34.71	2	9	0	100	477.546	8	↓ MOL2 SDF SMILES Flexibase

22713733

Analogs

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Popular Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2,6-dimethoxy-benzamide N-[[2-(4-ethoxyphenyl)benzotriaz…

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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)	3.50	8.33	-34.71	2	9	0	100	477.546	9	↓ MOL2 SDF SMILES Flexibase

22714189

Analogs

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Popular Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-chloro-benzamide N-[[2-(4-butylphenyl)-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)	5.95	13.88	-34.97	2	6	0	72	478.021	8	↓ MOL2 SDF SMILES Flexibase

22714193

Analogs

8921334

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Popular Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-3-methyl-benzamide N-[[2-(4-butylphenyl)-6-chloro-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)	5.95	13.81	-26.49	2	6	0	72	478.021	8	↓ MOL2 SDF SMILES Flexibase

22714196

Analogs

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Popular Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-chloro-benzamide N-[[2-(4-butylphenyl)-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)	5.97	13.89	-32.3	2	6	0	72	478.021	8	↓ MOL2 SDF SMILES Flexibase

22716686

Analogs

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Popular Name: 4-butoxy-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide 4-butoxy-N-[(6-chloro-2-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)	5.15	12	-28.05	2	7	0	81	479.993	9	↓ MOL2 SDF SMILES Flexibase

22716691

Analogs

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Popular Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-isobutoxy-benzamide N-[(6-chloro-2-phenyl-benzotriaz…

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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)	4.81	11.9	-30.03	2	7	0	81	479.993	8	↓ MOL2 SDF SMILES Flexibase

22739011

Analogs

2978539

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Popular Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]-2,6-dimethoxy-benzamide N-[[2-(3-chloro-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)	4.33	9.23	-35.46	2	8	0	90	481.965	7	↓ MOL2 SDF SMILES Flexibase

22739014

Analogs

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Popular Name: N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide N-[[2-(3-chloro-4-methoxy-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)	4.88	10.5	-34.82	2	8	0	90	481.965	7	↓ MOL2 SDF SMILES Flexibase

22743297

Analogs

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Popular Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-isopropyl-benzamide N-[[2-(4-butylphenyl)-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)	6.80	15.31	-32.19	2	6	0	72	485.657	9	↓ MOL2 SDF SMILES Flexibase

22743633

Analogs

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Popular Name: 3-chloro-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-ethoxy-benzamide 3-chloro-N-[(6-chloro-2-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)	4.70	10.96	-31.05	2	7	0	81	486.384	7	↓ MOL2 SDF SMILES Flexibase

22744682

Analogs

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Popular Name: N-[[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-ethyl-benzamide N-[[2-(4-diethylaminophenyl)-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)	5.20	14.27	-60.61	3	7	0	76	487.653	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.87	13.83	-59.34	1	7	-1	75	485.637	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.20	14.16	-26.48	2	7	0	75	486.645	9	↓ MOL2 SDF SMILES Flexibase

22744686

Analogs

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Popular Name: N-[[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide N-[[2-(4-diethylaminophenyl)-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)	5.11	14.01	-63.72	3	7	0	76	487.653	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.11	13.92	-26.87	2	7	0	75	486.645	8	↓ MOL2 SDF SMILES Flexibase

22746522

Analogs

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Popular Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-nitro-benzamide N-[[2-(4-butylphenyl)-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)	5.25	14.04	-36.04	2	9	0	118	488.573	9	↓ MOL2 SDF SMILES Flexibase

22746526

Analogs

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Popular Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide N-[[2-(4-butylphenyl)-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)	5.23	14.04	-43.42	2	9	0	118	488.573	9	↓ MOL2 SDF SMILES Flexibase

22746724

Analogs

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Popular Name: N-[[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-methoxy-benzamide N-[[2-(4-diethylaminophenyl)-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)	4.31	12.11	-66.37	3	8	0	86	489.625	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.31	12.03	-29.91	2	8	0	84	488.617	9	↓ MOL2 SDF SMILES Flexibase

22746728

Analogs

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Popular Name: N-[[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide N-[[2-(4-diethylaminophenyl)-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)	4.34	12.14	-60.84	3	8	0	86	489.625	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.34	12.04	-27.08	2	8	0	84	488.617	9	↓ MOL2 SDF SMILES Flexibase

22747779

Analogs

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Popular Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2,6-dimethoxy-benzamide N-[[2-(4-butylphenyl)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)	4.93	11.08	-34.99	2	8	0	90	489.601	10	↓ MOL2 SDF SMILES Flexibase

22747787

Analogs

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Popular Name: N-[[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,6-dimethoxy-benzamide N-[[2-(4-isopropylphenyl)-6-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)	4.96	10.86	-34.15	2	8	0	90	489.601	8	↓ MOL2 SDF SMILES Flexibase

22749763

Analogs

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Popular Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,6-dimethoxy-benzamide N-[[2-(4-ethoxyphenyl)-6-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)	3.88	9.21	-34.13	2	9	0	100	491.573	9	↓ MOL2 SDF SMILES Flexibase

22750209

Analogs

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Popular Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-chloro-4-methyl-benzamide N-[[2-(4-butylphenyl)-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)	6.35	14.45	-34.88	2	6	0	72	492.048	8	↓ MOL2 SDF SMILES Flexibase

22750216

Analogs

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Popular Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-chloro-4-methyl-benzamide N-[[2-(4-butylphenyl)-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)	6.35	14.55	-34.45	2	6	0	72	492.048	8	↓ MOL2 SDF SMILES Flexibase

22751398

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.94	13.33	-64.47	3	7	0	76	494.044	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.94	13.23	-28.57	2	7	0	75	493.036	8	↓ MOL2 SDF SMILES Flexibase

22751405

Analogs

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

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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)	4.96	13.33	-61.99	3	7	0	76	494.044	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.96	13.24	-26.2	2	7	0	75	493.036	8	↓ MOL2 SDF SMILES Flexibase

22752817

Analogs

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Popular Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide N-[[2-(4-butylphenyl)-6-chloro-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)	5.58	12.48	-27.64	2	7	0	81	494.02	9	↓ MOL2 SDF SMILES Flexibase

22752822

Analogs

8920706

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Popular Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-3-methoxy-benzamide N-[[2-(4-butylphenyl)-6-chloro-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)	5.55	12.47	-29.72	2	7	0	81	494.02	9	↓ MOL2 SDF SMILES Flexibase

22757242

Analogs

2145010

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Popular Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide N-[(6-chloro-2-phenyl-benzotriaz…

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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)	3.98	11.84	-39.98	2	10	0	127	496.936	8	↓ MOL2 SDF SMILES Flexibase

2985543

Analogs

9190367

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Popular Name: 3-butoxy-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]benzamide 3-butoxy-N-[(6-methyl-2-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)	4.90	-0.44	-29.92	2	7	0	81	459.575	9	↓ MOL2 SDF SMILES Flexibase

5200170

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]benzamide N-[[2-(p-tolyl)benzotriazol-5-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)	3.50	-0.87	-27.59	2	6	0	71	387.468	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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