ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

8010003

Analogs

8010005

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methyl-3-sulfamoyl-phenyl)-2-norbornan-2-yl-acetamide N-(4-methyl-3-sulfamoyl-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)	2.37	3.51	-18.19	3	5	0	89	322.43	4	↓ MOL2 SDF SMILES Flexibase

8010005

Analogs

8010003

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methyl-3-sulfamoyl-phenyl)-2-norbornan-2-yl-acetamide N-(4-methyl-3-sulfamoyl-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)	2.37	3.44	-13.07	3	5	0	89	322.43	4	↓ MOL2 SDF SMILES Flexibase

19433647

Analogs

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Popular Name: N-(2-carbamothioylphenyl)-2-[(1R,2S,4S)-norbornan-2-yl]acetamide N-(2-carbamothioylphenyl)-2-[(1R…

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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)	3.05	7.55	-15.46	3	3	0	55	288.416	4	↓ MOL2 SDF SMILES Flexibase

19433648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-carbamothioylphenyl)-2-[(1R,2R,4S)-norbornan-2-yl]acetamide N-(2-carbamothioylphenyl)-2-[(1R…

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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)	3.05	7.37	-15.95	3	3	0	55	288.416	4	↓ MOL2 SDF SMILES Flexibase

36156902

Analogs

36156905
37865146

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyano-3-fluoro-phenyl)-2-[(1R,2S,4S)-norbornan-2-yl]acetamide N-(2-cyano-3-fluoro-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)	3.13	8.27	-7.66	1	3	0	53	272.323	3	↓ MOL2 SDF SMILES Flexibase

36156905

Analogs

37865146
36156902

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyano-3-fluoro-phenyl)-2-[(1R,2R,4S)-norbornan-2-yl]acetamide N-(2-cyano-3-fluoro-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)	3.13	8.18	-7.24	1	3	0	53	272.323	3	↓ MOL2 SDF SMILES Flexibase

36158778

Analogs

36158781
37865147

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-carbamothioyl-3-fluoro-phenyl)-2-[(1R,2S,4S)-norbornan-2-yl]acetamide N-(2-carbamothioyl-3-fluoro-phen…

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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	7.11	-15.17	3	3	0	55	306.406	4	↓ MOL2 SDF SMILES Flexibase

36158781

Analogs

37865147
36158778

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-carbamothioyl-3-fluoro-phenyl)-2-[(1R,2R,4S)-norbornan-2-yl]acetamide N-(2-carbamothioyl-3-fluoro-phen…

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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	7.04	-14.33	3	3	0	55	306.406	4	↓ MOL2 SDF SMILES Flexibase

13011847

Analogs

13011848
36413141
59516532

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[[2-[(1R,2S,4S)-norbornan-2-yl]acetyl]amino]benzamide N-tert-butyl-4-[[2-[(1R,2S,4S)-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)	3.68	8.23	-11.32	2	4	0	58	328.456	5	↓ MOL2 SDF SMILES Flexibase

13011848

Analogs

36413141
59516532
13011847

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[[2-[(1R,2R,4S)-norbornan-2-yl]acetyl]amino]benzamide N-tert-butyl-4-[[2-[(1R,2R,4S)-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)	3.68	8.15	-10.93	2	4	0	58	328.456	5	↓ MOL2 SDF SMILES Flexibase

13260317

Analogs

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Popular Name: 5-chloro-2-[[2-[(1R,2S,4S)-norbornan-2-yl]acetyl]amino]benzoic 5-chloro-2-[[2-[(1R,2S,4S)-norbo…

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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)	4.00	8.22	-43.89	1	4	-1	69	306.769	4	↓ MOL2 SDF SMILES Flexibase

13260318

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[2-[(1R,2R,4S)-norbornan-2-yl]acetyl]amino]benzoic 5-chloro-2-[[2-[(1R,2R,4S)-norbo…

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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)	4.00	8.17	-44.65	1	4	-1	69	306.769	4	↓ MOL2 SDF SMILES Flexibase

13260507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[[2-[(1R,2S,4S)-norbornan-2-yl]acetyl]amino]benzoic 5-bromo-2-[[2-[(1R,2S,4S)-norbor…

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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)	4.13	8.32	-43.86	1	4	-1	69	351.22	4	↓ MOL2 SDF SMILES Flexibase

13260508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[[2-[(1R,2R,4S)-norbornan-2-yl]acetyl]amino]benzoic 5-bromo-2-[[2-[(1R,2R,4S)-norbor…

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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)	4.13	8.26	-44.62	1	4	-1	69	351.22	4	↓ MOL2 SDF SMILES Flexibase

13261492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(1R,2S,4S)-norbornan-2-yl]acetyl]amino]benzoic 2-[[2-[(1R,2S,4S)-norbornan-2-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)	3.35	7.69	-47.53	1	4	-1	69	272.324	4	↓ MOL2 SDF SMILES Flexibase

13261493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(1R,2R,4S)-norbornan-2-yl]acetyl]amino]benzoic 2-[[2-[(1R,2R,4S)-norbornan-2-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)	3.35	7.65	-46.86	1	4	-1	69	272.324	4	↓ MOL2 SDF SMILES Flexibase

13425892

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[2-[(1R,2S,4S)-norbornan-2-yl]acetyl]amino]benzoic 4-chloro-2-[[2-[(1R,2S,4S)-norbo…

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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)	4.00	8.18	-42.6	1	4	-1	69	306.769	4	↓ MOL2 SDF SMILES Flexibase

13425893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[2-[(1R,2R,4S)-norbornan-2-yl]acetyl]amino]benzoic 4-chloro-2-[[2-[(1R,2R,4S)-norbo…

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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)	4.00	8.16	-42.4	1	4	-1	69	306.769	4	↓ MOL2 SDF SMILES Flexibase

13428628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-[[2-[(1R,2S,4S)-norbornan-2-yl]acetyl]amino]benzoic 4-fluoro-2-[[2-[(1R,2S,4S)-norbo…

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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)	3.49	7.74	-42.24	1	4	-1	69	290.314	4	↓ MOL2 SDF SMILES Flexibase

13428629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-[[2-[(1R,2R,4S)-norbornan-2-yl]acetyl]amino]benzoic 4-fluoro-2-[[2-[(1R,2R,4S)-norbo…

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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)	3.49	7.71	-42.08	1	4	-1	69	290.314	4	↓ MOL2 SDF SMILES Flexibase

59311936

Analogs

12445905
12445907

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-iodo-2-methyl-phenyl)-2-[(1S,2S,4R)-norbornan-2-yl]acetamide N-(4-iodo-2-methyl-phenyl)-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)	4.76	9.7	-7.33	1	2	0	29	369.246	3	↓ MOL2 SDF SMILES Flexibase

59311937

Analogs

12445905
12445907

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-iodo-2-methyl-phenyl)-2-[(1S,2R,4R)-norbornan-2-yl]acetamide N-(4-iodo-2-methyl-phenyl)-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)	4.76	9.76	-7.57	1	2	0	29	369.246	3	↓ MOL2 SDF SMILES Flexibase

62826306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[2-[(1R,2S,4S)-norbornan-2-yl]acetyl]amino]benzoic 3-bromo-2-[[2-[(1R,2S,4S)-norbor…

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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)	4.11	9.38	-45.07	1	4	-1	69	351.22	4	↓ MOL2 SDF SMILES Flexibase

62826307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[2-[(1R,2R,4S)-norbornan-2-yl]acetyl]amino]benzoic 3-bromo-2-[[2-[(1R,2R,4S)-norbor…

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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)	4.11	9.31	-47.33	1	4	-1	69	351.22	4	↓ MOL2 SDF SMILES Flexibase

62831491

Analogs

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Popular Name: 5-amino-2-[[2-[(1R,2S,4S)-norbornan-2-yl]acetyl]amino]benzoic 5-amino-2-[[2-[(1R,2S,4S)-norbor…

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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)	2.40	6.55	-46.79	3	5	-1	95	287.339	4	↓ MOL2 SDF SMILES Flexibase

62831492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[[2-[(1R,2R,4S)-norbornan-2-yl]acetyl]amino]benzoic 5-amino-2-[[2-[(1R,2R,4S)-norbor…

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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)	2.40	6.47	-46.83	3	5	-1	95	287.339	4	↓ MOL2 SDF SMILES Flexibase

62831720

Analogs

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Popular Name: 4-amino-2-[[2-[(1R,2S,4S)-norbornan-2-yl]acetyl]amino]benzoic 4-amino-2-[[2-[(1R,2S,4S)-norbor…

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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)	2.40	6.61	-49.12	3	5	-1	95	287.339	4	↓ MOL2 SDF SMILES Flexibase

62831721

Analogs

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Popular Name: 4-amino-2-[[2-[(1R,2R,4S)-norbornan-2-yl]acetyl]amino]benzoic 4-amino-2-[[2-[(1R,2R,4S)-norbor…

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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)	2.40	6.49	-49.12	3	5	-1	95	287.339	4	↓ MOL2 SDF SMILES Flexibase

62833070

Analogs

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Popular Name: 3-amino-4-[[2-[(1R,2S,4S)-norbornan-2-yl]acetyl]amino]benzoic 3-amino-4-[[2-[(1R,2S,4S)-norbor…

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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	6.49	-56.72	3	5	-1	95	287.339	4	↓ MOL2 SDF SMILES Flexibase

62833071

Analogs

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Popular Name: 3-amino-4-[[2-[(1R,2R,4S)-norbornan-2-yl]acetyl]amino]benzoic 3-amino-4-[[2-[(1R,2R,4S)-norbor…

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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	6.41	-56.33	3	5	-1	95	287.339	4	↓ MOL2 SDF SMILES Flexibase

63008840

Analogs

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Popular Name: 3-fluoro-4-[[2-[(1R,2S,4S)-norbornan-2-yl]acetyl]amino]benzoic 3-fluoro-4-[[2-[(1R,2S,4S)-norbo…

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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)	3.31	8.43	-48.87	1	4	-1	69	290.314	4	↓ MOL2 SDF SMILES Flexibase

63008841

Analogs

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Popular Name: 3-fluoro-4-[[2-[(1R,2R,4S)-norbornan-2-yl]acetyl]amino]benzoic 3-fluoro-4-[[2-[(1R,2R,4S)-norbo…

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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)	3.31	8.38	-48.48	1	4	-1	69	290.314	4	↓ MOL2 SDF SMILES Flexibase

69563078

Analogs

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Popular Name: N-[2-(methanesulfonamido)phenyl]-2-[(1R,2S,4S)-norbornan-2-yl]acetamide N-[2-(methanesulfonamido)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)	2.49	4.69	-42.4	1	5	-1	77	321.422	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.49	4.7	-14.07	2	5	0	75	322.43	5	↓ MOL2 SDF SMILES Flexibase

69563082

Analogs

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Popular Name: N-[2-(methanesulfonamido)phenyl]-2-[(1R,2R,4S)-norbornan-2-yl]acetamide N-[2-(methanesulfonamido)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)	2.49	4.63	-42.42	1	5	-1	77	321.422	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.49	4.66	-13.7	2	5	0	75	322.43	5	↓ MOL2 SDF SMILES Flexibase

66960790

Analogs

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Popular Name: N-(2,4-difluoro-5-nitro-phenyl)-2-[(1R,2S,4S)-norbornan-2-yl]acetamide N-(2,4-difluoro-5-nitro-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)	3.44	8.62	-11.1	1	5	0	75	310.3	4	↓ MOL2 SDF SMILES Flexibase

66960792

Analogs

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Popular Name: N-(2,4-difluoro-5-nitro-phenyl)-2-[(1R,2R,4S)-norbornan-2-yl]acetamide N-(2,4-difluoro-5-nitro-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)	3.44	8.55	-10.69	1	5	0	75	310.3	4	↓ MOL2 SDF SMILES Flexibase

40769811

Analogs

40769813

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Popular Name: N-(4-amino-3-methoxy-phenyl)-2-[(1R,2S,4S)-norbornan-2-yl]acetamide N-(4-amino-3-methoxy-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)	2.77	5.07	-9.28	3	4	0	64	274.364	4	↓ MOL2 SDF SMILES Flexibase

40769813

Analogs

40769811

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Popular Name: N-(4-amino-3-methoxy-phenyl)-2-[(1R,2R,4S)-norbornan-2-yl]acetamide N-(4-amino-3-methoxy-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)	2.77	5	-9.09	3	4	0	64	274.364	4	↓ MOL2 SDF SMILES Flexibase

67467077

Analogs

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Popular Name: N-(2-bromo-4,5-dimethoxy-phenyl)-2-[(1R,2S,4S)-norbornan-2-yl]acetamide N-(2-bromo-4,5-dimethoxy-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)	3.69	7.69	-8.36	1	4	0	48	368.271	5	↓ MOL2 SDF SMILES Flexibase

67467078

Analogs

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Popular Name: N-(2-bromo-4,5-dimethoxy-phenyl)-2-[(1R,2R,4S)-norbornan-2-yl]acetamide N-(2-bromo-4,5-dimethoxy-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)	3.69	7.65	-8.17	1	4	0	48	368.271	5	↓ MOL2 SDF SMILES Flexibase

48791286

Analogs

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Popular Name: N-(3-fluoro-4-methoxy-phenyl)-2-[(1R,2S,4S)-norbornan-2-yl]acetamide N-(3-fluoro-4-methoxy-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)	3.45	7.13	-13.46	1	3	0	38	277.339	4	↓ MOL2 SDF SMILES Flexibase

48791288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-4-methoxy-phenyl)-2-[(1R,2R,4S)-norbornan-2-yl]acetamide N-(3-fluoro-4-methoxy-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)	3.45	7.07	-9.09	1	3	0	38	277.339	4	↓ MOL2 SDF SMILES Flexibase

48974455

Analogs

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Popular Name: N-(3-chloro-2-methoxy-phenyl)-2-[(1R,2S,4S)-norbornan-2-yl]acetamide N-(3-chloro-2-methoxy-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)	3.94	7.85	-6.67	1	3	0	38	293.794	4	↓ MOL2 SDF SMILES Flexibase

48974457

Analogs

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Popular Name: N-(3-chloro-2-methoxy-phenyl)-2-[(1R,2R,4S)-norbornan-2-yl]acetamide N-(3-chloro-2-methoxy-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)	3.94	7.79	-6.33	1	3	0	38	293.794	4	↓ MOL2 SDF SMILES Flexibase

37114732

Analogs

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Popular Name: N-(3-aminopropyl)-2-[(1R,2S,4S)-norbornan-2-yl]-N-phenyl-acetamide N-(3-aminopropyl)-2-[(1R,2S,4S)-…

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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)	1.95	8.51	-43.06	3	3	1	48	287.427	6	↓ MOL2 SDF SMILES Flexibase

37114733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-aminopropyl)-2-[(1R,2R,4S)-norbornan-2-yl]-N-phenyl-acetamide N-(3-aminopropyl)-2-[(1R,2R,4S)-…

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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)	1.95	8.46	-43.08	3	3	1	48	287.427	6	↓ MOL2 SDF SMILES Flexibase

49304317

Analogs

42168442
42168444

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Popular Name: N-(2-methoxy-4-methyl-phenyl)-2-[(1R,2S,4S)-norbornan-2-yl]acetamide N-(2-methoxy-4-methyl-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)	3.74	7.84	-8.06	1	3	0	38	273.376	4	↓ MOL2 SDF SMILES Flexibase

49304320

Analogs

42168442
42168444

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxy-4-methyl-phenyl)-2-[(1R,2R,4S)-norbornan-2-yl]acetamide N-(2-methoxy-4-methyl-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)	3.74	7.79	-7.66	1	3	0	38	273.376	4	↓ MOL2 SDF SMILES Flexibase

41636810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethynylphenyl)-2-[(1R,2S,4S)-norbornan-2-yl]acetamide N-(3-ethynylphenyl)-2-[(1R,2S,4S…

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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)	3.04	8.96	-11.61	1	2	0	29	253.345	3	↓ MOL2 SDF SMILES Flexibase

41636812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethynylphenyl)-2-[(1R,2R,4S)-norbornan-2-yl]acetamide N-(3-ethynylphenyl)-2-[(1R,2R,4S…

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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)	3.04	8.9	-11.32	1	2	0	29	253.345	3	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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