ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

12855336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-morpholinosulfonyl-2-phenoxy-phenyl)hexanamide N-(5-morpholinosulfonyl-2-phenox…

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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)	4.41	7.07	-14.75	1	7	0	85	432.542	9	↓ MOL2 SDF SMILES Flexibase

13273123

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-acetyl-2-methoxy-phenoxy)-5-morpholinosulfonyl-benzoic 2-(4-acetyl-2-methoxy-phenoxy)-5…

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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)	2.46	5.29	-62.6	0	9	-1	122	434.446	7	↓ MOL2 SDF SMILES Flexibase

13273652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-carboxy-4-morpholinosulfonyl-phenoxy)-4-methyl-benzoic 2-(2-carboxy-4-morpholinosulfony…

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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)	3.14	5.85	-143.83	0	9	-2	136	419.411	6	↓ MOL2 SDF SMILES Flexibase

13273681

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-carboxy-4-morpholinosulfonyl-phenoxy)-5-methyl-benzoic 2-(2-carboxy-4-morpholinosulfony…

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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)	3.14	5.85	-140.44	0	9	-2	136	419.411	6	↓ MOL2 SDF SMILES Flexibase

13273784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-carboxy-4-chloro-phenoxy)-5-morpholinosulfonyl-benzoic 2-(2-carboxy-4-chloro-phenoxy)-5…

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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)	3.37	5.7	-132.41	0	9	-2	136	439.829	6	↓ MOL2 SDF SMILES Flexibase

13273811

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]-5-morpholinosulfonyl-benzoic 2-[4-[(E)-3-hydroxy-3-oxo-prop-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)	2.53	5.7	-116.45	0	10	-2	145	461.448	8	↓ MOL2 SDF SMILES Flexibase

13273847

Analogs

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Popular Name: 2-(4-carboxyphenoxy)-5-morpholinosulfonyl-benzoic 2-(4-carboxyphenoxy)-5-morpholin…

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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)	2.68	4.82	-116.24	0	9	-2	136	405.384	6	↓ MOL2 SDF SMILES Flexibase

13273874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-carboxyphenoxy)-5-morpholinosulfonyl-benzoic 2-(3-carboxyphenoxy)-5-morpholin…

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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)	2.66	4.8	-121.34	0	9	-2	136	405.384	6	↓ MOL2 SDF SMILES Flexibase

13273903

Analogs

13036534
13036537

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-carboxyphenoxy)-5-morpholinosulfonyl-benzoic 2-(2-carboxyphenoxy)-5-morpholin…

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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)	2.72	5.19	-139.31	0	9	-2	136	405.384	6	↓ MOL2 SDF SMILES Flexibase

13274004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-carboxy-5-chloro-phenoxy)-5-morpholinosulfonyl-benzoic 2-(2-carboxy-5-chloro-phenoxy)-5…

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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)	3.37	5.68	-132.29	0	9	-2	136	439.829	6	↓ MOL2 SDF SMILES Flexibase

13274031

Analogs

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Popular Name: 4-(2-carboxy-4-morpholinosulfonyl-phenoxy)-3-chloro-benzoic 4-(2-carboxy-4-morpholinosulfony…

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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	5.32	-113.04	0	9	-2	136	439.829	6	↓ MOL2 SDF SMILES Flexibase

13274064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-carboxy-4-morpholinosulfonyl-phenoxy)-4-methoxy-benzoic 2-(2-carboxy-4-morpholinosulfony…

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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)	2.75	4.48	-141.28	0	10	-2	145	435.41	7	↓ MOL2 SDF SMILES Flexibase

13274093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-carboxy-4-morpholinosulfonyl-phenoxy)-5-methoxy-benzoic 2-(2-carboxy-4-morpholinosulfony…

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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)	2.75	4.46	-138.9	0	10	-2	145	435.41	7	↓ MOL2 SDF SMILES Flexibase

13274119

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-4-(2-carboxy-4-morpholinosulfonyl-phenoxy)benzoic 3-bromo-4-(2-carboxy-4-morpholin…

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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)	3.42	5.42	-112.85	0	9	-2	136	484.28	6	↓ MOL2 SDF SMILES Flexibase

13274583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-carboxy-4-morpholinosulfonyl-phenoxy)-5-nitro-benzoic 2-(2-carboxy-4-morpholinosulfony…

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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)	2.65	5.85	-127.11	0	12	-2	182	450.381	7	↓ MOL2 SDF SMILES Flexibase

13274584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-carboxy-4-morpholinosulfonyl-phenoxy)-2-nitro-benzoic 5-(2-carboxy-4-morpholinosulfony…

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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)	2.75	5.89	-119.94	0	12	-2	182	450.381	7	↓ MOL2 SDF SMILES Flexibase

13274585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-nitro-phenoxy]-5-morpholinosulfonyl-benzoic 2-[4-[(E)-3-hydroxy-3-oxo-prop-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)	2.63	7.05	-112.93	0	12	-2	182	476.419	8	↓ MOL2 SDF SMILES Flexibase

13274586

Analogs

13036534
13036537

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-carboxy-4-morpholinosulfonyl-phenoxy)-5-sulfamoyl-benzoic 2-(2-carboxy-4-morpholinosulfony…

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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)	1.39	0.12	-141.84	2	12	-2	196	484.464	7	↓ MOL2 SDF SMILES Flexibase

13274587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-carboxy-4-morpholinosulfonyl-phenoxy)-3-nitro-benzoic 4-(2-carboxy-4-morpholinosulfony…

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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)	2.57	5.83	-111.67	0	12	-2	182	450.381	7	↓ MOL2 SDF SMILES Flexibase

13274635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-carboxy-4-morpholinosulfonyl-phenoxy)-4-nitro-benzoic 3-(2-carboxy-4-morpholinosulfony…

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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)	2.57	5.75	-112.97	0	12	-2	182	450.381	7	↓ MOL2 SDF SMILES Flexibase

13274759

Analogs

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Popular Name: 2-[2-(carboxymethyloxy)phenoxy]-5-morpholinosulfonyl-benzoic 2-[2-(carboxymethyloxy)phenoxy]-…

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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)	1.83	5.37	-130.06	0	10	-2	145	435.41	8	↓ MOL2 SDF SMILES Flexibase

13274959

Analogs

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Popular Name: 2-(4-acetylphenoxy)-5-morpholinosulfonyl-benzoic 2-(4-acetylphenoxy)-5-morpholino…

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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)	2.67	5.57	-58.7	0	8	-1	113	404.42	6	↓ MOL2 SDF SMILES Flexibase

13274977

Analogs

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Popular Name: 2-(2-chlorophenoxy)-5-morpholinosulfonyl-benzoic 2-(2-chlorophenoxy)-5-morpholino…

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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)	3.40	5.65	-58.5	0	7	-1	96	396.828	5	↓ MOL2 SDF SMILES Flexibase

13275013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-morpholinosulfonyl-2-(4-nitrophenoxy)benzoic 5-morpholinosulfonyl-2-(4-nitrop…

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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)	2.73	5.86	-53.54	0	10	-1	142	407.38	6	↓ MOL2 SDF SMILES Flexibase

13275029

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenoxy)-5-morpholinosulfonyl-benzoic 2-(3-chlorophenoxy)-5-morpholino…

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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)	3.43	5.7	-56.16	0	7	-1	96	396.828	5	↓ MOL2 SDF SMILES Flexibase

13275046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-morpholinosulfonyl-2-(2-nitrophenoxy)benzoic 5-morpholinosulfonyl-2-(2-nitrop…

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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)	2.68	6.21	-64.68	0	10	-1	142	407.38	6	↓ MOL2 SDF SMILES Flexibase

13275064

Analogs

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Popular Name: 2-(2,4-dichlorophenoxy)-5-morpholinosulfonyl-benzoic 2-(2,4-dichlorophenoxy)-5-morpho…

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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	6.25	-58.56	0	7	-1	96	431.273	5	↓ MOL2 SDF SMILES Flexibase

13275101

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-morpholinosulfonyl-2-(3-nitrophenoxy)benzoic 5-morpholinosulfonyl-2-(3-nitrop…

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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)	2.71	5.86	-56.75	0	10	-1	142	407.38	6	↓ MOL2 SDF SMILES Flexibase

13275127

Analogs

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Popular Name: 2-(3-chloro-4-fluoro-phenoxy)-5-morpholinosulfonyl-benzoic 2-(3-chloro-4-fluoro-phenoxy)-5-…

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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)	3.54	5.76	-53.3	0	7	-1	96	414.818	5	↓ MOL2 SDF SMILES Flexibase

13275150

Analogs

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Popular Name: 2-(3,4-dichlorophenoxy)-5-morpholinosulfonyl-benzoic 2-(3,4-dichlorophenoxy)-5-morpho…

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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	6.16	-53.42	0	7	-1	96	431.273	5	↓ MOL2 SDF SMILES Flexibase

13275197

Analogs

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Popular Name: 2-(2,3-dichlorophenoxy)-5-morpholinosulfonyl-benzoic 2-(2,3-dichlorophenoxy)-5-morpho…

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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)	4.03	6.15	-56.56	0	7	-1	96	431.273	5	↓ MOL2 SDF SMILES Flexibase

13275222

Analogs

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Popular Name: 5-morpholinosulfonyl-2-(4-propanoylphenoxy)benzoic 5-morpholinosulfonyl-2-(4-propan…

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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)	3.17	6.44	-58.28	0	8	-1	113	418.447	7	↓ MOL2 SDF SMILES Flexibase

13275248

Analogs

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Popular Name: 2-(4-chloro-3-methyl-phenoxy)-5-morpholinosulfonyl-benzoic 2-(4-chloro-3-methyl-phenoxy)-5-…

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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)	3.83	6.31	-57.72	0	7	-1	96	410.855	5	↓ MOL2 SDF SMILES Flexibase

13275265

Analogs

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Popular Name: 2-(4-bromo-2-chloro-phenoxy)-5-morpholinosulfonyl-benzoic 2-(4-bromo-2-chloro-phenoxy)-5-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)	4.19	6.35	-58.39	0	7	-1	96	475.724	5	↓ MOL2 SDF SMILES Flexibase

13275291

Analogs

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Popular Name: 5-morpholinosulfonyl-2-(2,4,5-trichlorophenoxy)benzoic 5-morpholinosulfonyl-2-(2,4,5-tr…

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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)	4.66	6.64	-52.89	0	7	-1	96	465.718	5	↓ MOL2 SDF SMILES Flexibase

13275478

Analogs

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Popular Name: 2-(2,5-dichlorophenoxy)-5-morpholinosulfonyl-benzoic 2-(2,5-dichlorophenoxy)-5-morpho…

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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	6.26	-59.94	0	7	-1	96	431.273	5	↓ MOL2 SDF SMILES Flexibase

13275525

Analogs

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Popular Name: 2-(4-morpholinosulfonyl-2-nitro-phenoxy)-5-nitro-benzoic 2-(4-morpholinosulfonyl-2-nitro-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.62	6.89	-63.49	0	13	-1	188	452.377	7	↓ MOL2 SDF SMILES Flexibase

13275526

Analogs

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Popular Name: 5-(4-morpholinosulfonyl-2-nitro-phenoxy)-2-nitro-benzoic 5-(4-morpholinosulfonyl-2-nitro-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.72	6.95	-64.33	0	13	-1	188	452.377	7	↓ MOL2 SDF SMILES Flexibase

13275527

Analogs

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Popular Name: (E)-3-[4-(4-morpholinosulfonyl-2-nitro-phenoxy)-3-nitro-phenyl]prop-2-enoic (E)-3-[4-(4-morpholinosulfonyl-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)	2.60	8.09	-60.26	0	13	-1	188	478.415	8	↓ MOL2 SDF SMILES Flexibase

13275528

Analogs

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Popular Name: 2-(4-morpholinosulfonyl-2-nitro-phenoxy)-5-sulfamoyl-benzoic 2-(4-morpholinosulfonyl-2-nitro-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.35	1.16	-72.84	2	13	-1	202	486.46	7	↓ MOL2 SDF SMILES Flexibase

13275529

Analogs

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Popular Name: 4-(4-morpholinosulfonyl-2-nitro-phenoxy)-3-nitro-benzoic 4-(4-morpholinosulfonyl-2-nitro-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.54	6.87	-55.96	0	13	-1	188	452.377	7	↓ MOL2 SDF SMILES Flexibase

13275645

Analogs

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Popular Name: 2-(2-bromo-4-chloro-phenoxy)-5-morpholinosulfonyl-benzoic 2-(2-bromo-4-chloro-phenoxy)-5-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)	4.19	6.34	-58.16	0	7	-1	96	475.724	5	↓ MOL2 SDF SMILES Flexibase

13275666

Analogs

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Popular Name: 2-(4-methoxy-2-nitro-phenoxy)-5-morpholinosulfonyl-benzoic 2-(4-methoxy-2-nitro-phenoxy)-5-…

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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)	2.72	5.5	-71.59	0	11	-1	151	437.406	7	↓ MOL2 SDF SMILES Flexibase

13275704

Analogs

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Popular Name: 2-(4-bromo-2-fluoro-phenoxy)-5-morpholinosulfonyl-benzoic 2-(4-bromo-2-fluoro-phenoxy)-5-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)	3.67	5.94	-60.38	0	7	-1	96	459.269	5	↓ MOL2 SDF SMILES Flexibase

13276096

Analogs

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Popular Name: 2-(4-cyano-2-ethoxy-phenoxy)-5-morpholinosulfonyl-benzoic 2-(4-cyano-2-ethoxy-phenoxy)-5-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)	2.69	6.28	-63.08	0	9	-1	129	431.446	7	↓ MOL2 SDF SMILES Flexibase

13276542

Analogs

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Popular Name: 2-(4-chlorophenoxy)-5-morpholinosulfonyl-benzoic 2-(4-chlorophenoxy)-5-morpholino…

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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)	3.45	5.71	-55.01	0	7	-1	96	396.828	5	↓ MOL2 SDF SMILES Flexibase

13278218

Analogs

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Popular Name: 3-(2-carboxy-4-morpholinosulfonyl-phenoxy)-4-methyl-benzoic 3-(2-carboxy-4-morpholinosulfony…

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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)	3.06	5.47	-116.99	0	9	-2	136	419.411	6	↓ MOL2 SDF SMILES Flexibase

58330781

Analogs

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Popular Name: 4-[3-nitro-4-[2-(2,2,2-trifluoroethoxy)phenoxy]phenyl]sulfonylmorpholine 4-[3-nitro-4-[2-(2,2,2-trifluoro…

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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)	3.47	7.4	-19.58	0	9	0	111	462.402	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 108109 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

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