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ZINC Item

Suppliers, Protomers, & Similar Substances

44017751

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-cyclopropylethyl]-3-[3-(trifluoromethoxy)phenyl]urea 1-[(1S)-1-cyclopropylethyl]-3-[3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.59	4.84	-9.9	2	4	0	50	288.269	5	↓ MOL2 SDF SMILES Flexibase

44017752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-cyclopropylethyl]-3-[3-(trifluoromethoxy)phenyl]urea 1-[(1R)-1-cyclopropylethyl]-3-[3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.59	4.92	-10.21	2	4	0	50	288.269	5	↓ MOL2 SDF SMILES Flexibase

44018181

Analogs

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Popular Name: 1-(cyclopropylmethyl)-3-[3-(trifluoromethoxy)phenyl]urea 1-(cyclopropylmethyl)-3-[3-(trif…

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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)	3.26	4.2	-7.3	2	4	0	50	274.242	5	↓ MOL2 SDF SMILES Flexibase

44241616

Analogs

48488539
48488542
48488559
48488565
48488590

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-(cyclopropylmethylcarbamoylamino)-N,N-dimethyl-benzamide 4-chloro-3-(cyclopropylmethylcar…

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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)	1.89	4.94	-16.77	2	5	0	61	295.77	4	↓ MOL2 SDF SMILES Flexibase

44242779

Analogs

44237226
44237310
44237313
44237316
44237319

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylcarbamoylamino)-N,N-dimethyl-benzamide 2-(cyclopropylmethylcarbamoylami…

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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)	1.23	4.56	-12.22	2	5	0	61	261.325	4	↓ MOL2 SDF SMILES Flexibase

40235767

Analogs

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Popular Name: 2-[cyclopropylmethyl-[ethyl(m-tolyl)carbamoyl]amino]acetic 2-[cyclopropylmethyl-[ethyl(m-to…

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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)	1.94	10.28	-54.2	0	5	-1	64	289.355	6	↓ MOL2 SDF SMILES Flexibase

48451985

Analogs

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Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[[(1S,2R)-2-methylcyclopropyl]methyl]urea 1-(2-bromo-4-fluoro-phenyl)-3-[[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	5.89	-5.51	2	3	0	41	301.159	3	↓ MOL2 SDF SMILES Flexibase

48451987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[[(1S,2S)-2-methylcyclopropyl]methyl]urea 1-(2-bromo-4-fluoro-phenyl)-3-[[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	5.95	-5.45	2	3	0	41	301.159	3	↓ MOL2 SDF SMILES Flexibase

48451988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[[(1R,2R)-2-methylcyclopropyl]methyl]urea 1-(2-bromo-4-fluoro-phenyl)-3-[[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	5.95	-5.48	2	3	0	41	301.159	3	↓ MOL2 SDF SMILES Flexibase

48451990

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[[(1R,2S)-2-methylcyclopropyl]methyl]urea 1-(2-bromo-4-fluoro-phenyl)-3-[[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	5.89	-5.53	2	3	0	41	301.159	3	↓ MOL2 SDF SMILES Flexibase

48452310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[(1S)-1-cyclopropylethyl]urea 1-(2-bromo-4-fluoro-phenyl)-3-[(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.55	5.88	-5.39	2	3	0	41	301.159	3	↓ MOL2 SDF SMILES Flexibase

48452312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[(1R)-1-cyclopropylethyl]urea 1-(2-bromo-4-fluoro-phenyl)-3-[(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.55	5.97	-5.49	2	3	0	41	301.159	3	↓ MOL2 SDF SMILES Flexibase

48453016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-(cyclopropylmethyl)urea 1-(2-bromo-4-fluoro-phenyl)-3-(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)	3.22	5.26	-5.42	2	3	0	41	287.132	3	↓ MOL2 SDF SMILES Flexibase

62462173

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-chloro-4-methoxy-phenyl)-1-(cyclopropylmethyl)-1-propyl-urea 3-(2-chloro-4-methoxy-phenyl)-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)	4.10	8.45	-7.02	1	4	0	42	296.798	6	↓ MOL2 SDF SMILES Flexibase

56693194

Analogs

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Popular Name: N-[4-chloro-3-[[cyclopropylmethyl(propyl)carbamoyl]amino]phenyl]acetamide N-[4-chloro-3-[[cyclopropylmethy…

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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)	3.26	8.06	-10.86	2	5	0	61	323.824	6	↓ MOL2 SDF SMILES Flexibase

56773596

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]-5-methyl-phenoxy]-N,N-dimethyl-acetamide 2-[2-[[cyclopropylmethyl(propyl)…

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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)	2.78	10.15	-15.63	1	6	0	62	347.459	8	↓ MOL2 SDF SMILES Flexibase

57526635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopropylmethyl)-3-phenyl-1-propyl-urea 1-(cyclopropylmethyl)-3-phenyl-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.44	8.56	-8.49	1	3	0	32	232.327	5	↓ MOL2 SDF SMILES Flexibase

57526643

Analogs

25511691
25511693

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopropylmethyl)-3-(4-fluorophenyl)-1-propyl-urea 1-(cyclopropylmethyl)-3-(4-fluor…

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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	8.62	-8.26	1	3	0	32	250.317	5	↓ MOL2 SDF SMILES Flexibase

58004017

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chlorophenyl)-1-(cyclopropylmethyl)-1-propyl-urea 3-(3-chlorophenyl)-1-(cyclopropy…

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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)	4.09	9.08	-9.53	1	3	0	32	266.772	5	↓ MOL2 SDF SMILES Flexibase

58006057

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propyl-urea 1-(cyclopropylmethyl)-3-(2-metho…

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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	7.96	-8.7	1	4	0	42	262.353	6	↓ MOL2 SDF SMILES Flexibase

60476901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopropylmethyl)-3-(m-tolyl)-1-propyl-urea 1-(cyclopropylmethyl)-3-(m-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)	3.86	9.24	-8.66	1	3	0	32	246.354	5	↓ MOL2 SDF SMILES Flexibase

60476931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-1-(cyclopropylmethyl)-1-propyl-urea 3-(4-chlorophenyl)-1-(cyclopropy…

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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)	4.12	9.08	-7.72	1	3	0	32	266.772	5	↓ MOL2 SDF SMILES Flexibase

61501361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopropylmethyl)-3-(2-isopropoxyphenyl)-1-propyl-urea 1-(cyclopropylmethyl)-3-(2-isopr…

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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	9.56	-8.25	1	4	0	42	290.407	7	↓ MOL2 SDF SMILES Flexibase

62824598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylcarbamoylamino)-5-iodo-benzoic 2-(cyclopropylmethylcarbamoylami…

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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	6.41	-41.72	2	5	-1	81	359.143	4	↓ MOL2 SDF SMILES Flexibase

62824682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-cyclopropylethyl]carbamoylamino]-5-iodo-benzoic 2-[[(1S)-1-cyclopropylethyl]carb…

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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)	3.75	7.08	-42.3	2	5	-1	81	373.17	4	↓ MOL2 SDF SMILES Flexibase

62824683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-cyclopropylethyl]carbamoylamino]-5-iodo-benzoic 2-[[(1R)-1-cyclopropylethyl]carb…

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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)	3.75	7.11	-41.98	2	5	-1	81	373.17	4	↓ MOL2 SDF SMILES Flexibase

62824715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]amino]-5-iodo-benzoic 2-[[[(1S)-1-cyclopropylethyl]-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)	3.99	9.17	-43.13	1	5	-1	72	387.197	4	↓ MOL2 SDF SMILES Flexibase

62824716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]amino]-5-iodo-benzoic 2-[[[(1R)-1-cyclopropylethyl]-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)	3.99	9.23	-43.66	1	5	-1	72	387.197	4	↓ MOL2 SDF SMILES Flexibase

62824747

Analogs

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Popular Name: 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-5-iodo-benzoic 2-[[cyclopropylmethyl(methyl)car…

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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)	3.66	8.84	-43.13	1	5	-1	72	373.17	4	↓ MOL2 SDF SMILES Flexibase

62824788

Analogs

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Popular Name: 2-[[cyclopropylmethyl(propyl)carbamoyl]amino]-5-iodo-benzoic 2-[[cyclopropylmethyl(propyl)car…

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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)	4.54	10.52	-43.72	1	5	-1	72	401.224	6	↓ MOL2 SDF SMILES Flexibase

62824843

Analogs

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Popular Name: 2-[[cyclopropylmethyl(isopropyl)carbamoyl]amino]-5-iodo-benzoic 2-[[cyclopropylmethyl(isopropyl)…

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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	10.09	-45.38	1	5	-1	72	401.224	5	↓ MOL2 SDF SMILES Flexibase

62825489

Analogs

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Popular Name: 3,5-dibromo-2-(cyclopropylmethylcarbamoylamino)benzoic 3,5-dibromo-2-(cyclopropylmethyl…

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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	6.36	-40.96	2	5	-1	81	391.039	4	↓ MOL2 SDF SMILES Flexibase

62825541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dibromo-2-[[(1S)-1-cyclopropylethyl]carbamoylamino]benzoic 3,5-dibromo-2-[[(1S)-1-cycloprop…

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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)	4.21	7.13	-41.53	2	5	-1	81	405.066	4	↓ MOL2 SDF SMILES Flexibase

62825542

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dibromo-2-[[(1R)-1-cyclopropylethyl]carbamoylamino]benzoic 3,5-dibromo-2-[[(1R)-1-cycloprop…

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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)	4.21	7.25	-41.79	2	5	-1	81	405.066	4	↓ MOL2 SDF SMILES Flexibase

62825553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dibromo-2-[[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]amino]benzoic 3,5-dibromo-2-[[[(1S)-1-cyclopro…

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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	9.25	-42.35	1	5	-1	72	419.093	4	↓ MOL2 SDF SMILES Flexibase

62825554

Analogs

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Popular Name: 3,5-dibromo-2-[[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]amino]benzoic 3,5-dibromo-2-[[[(1R)-1-cyclopro…

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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	9.3	-43.01	1	5	-1	72	419.093	4	↓ MOL2 SDF SMILES Flexibase

62825574

Analogs

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Popular Name: 3,5-dibromo-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic 3,5-dibromo-2-[[cyclopropylmethy…

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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	8.92	-42.24	1	5	-1	72	405.066	4	↓ MOL2 SDF SMILES Flexibase

62826031

Analogs

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Popular Name: 2-(cyclopropylmethylcarbamoylamino)-3,5-dimethyl-benzoic 2-(cyclopropylmethylcarbamoylami…

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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)	2.22	6.68	-50.11	2	5	-1	81	261.301	4	↓ MOL2 SDF SMILES Flexibase

62826090

Analogs

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Popular Name: 2-[[(1S)-1-cyclopropylethyl]carbamoylamino]-3,5-dimethyl-benzoic 2-[[(1S)-1-cyclopropylethyl]carb…

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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)	2.55	7.28	-50.38	2	5	-1	81	275.328	4	↓ MOL2 SDF SMILES Flexibase

62826091

Analogs

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Popular Name: 2-[[(1R)-1-cyclopropylethyl]carbamoylamino]-3,5-dimethyl-benzoic 2-[[(1R)-1-cyclopropylethyl]carb…

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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)	2.55	7.4	-50.67	2	5	-1	81	275.328	4	↓ MOL2 SDF SMILES Flexibase

62826102

Analogs

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Popular Name: 2-[[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]amino]-3,5-dimethyl-benzoic 2-[[[(1S)-1-cyclopropylethyl]-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)	2.80	9.38	-51.2	1	5	-1	72	289.355	4	↓ MOL2 SDF SMILES Flexibase

62826103

Analogs

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Popular Name: 2-[[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]amino]-3,5-dimethyl-benzoic 2-[[[(1R)-1-cyclopropylethyl]-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)	2.80	9.44	-51.81	1	5	-1	72	289.355	4	↓ MOL2 SDF SMILES Flexibase

62826123

Analogs

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Popular Name: 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethyl-benzoic 2-[[cyclopropylmethyl(methyl)car…

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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)	2.47	9.06	-51.81	1	5	-1	72	275.328	4	↓ MOL2 SDF SMILES Flexibase

62827042

Analogs

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Popular Name: 3-bromo-2-(cyclopropylmethylcarbamoylamino)benzoic 3-bromo-2-(cyclopropylmethylcarb…

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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)	3.12	5.9	-45.39	2	5	-1	81	312.143	4	↓ MOL2 SDF SMILES Flexibase

62827144

Analogs

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Popular Name: 3-bromo-2-[[(1S)-1-cyclopropylethyl]carbamoylamino]benzoic 3-bromo-2-[[(1S)-1-cyclopropylet…

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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	6.53	-46.05	2	5	-1	81	326.17	4	↓ MOL2 SDF SMILES Flexibase

62827145

Analogs

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Popular Name: 3-bromo-2-[[(1R)-1-cyclopropylethyl]carbamoylamino]benzoic 3-bromo-2-[[(1R)-1-cyclopropylet…

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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	6.63	-48.22	2	5	-1	81	326.17	4	↓ MOL2 SDF SMILES Flexibase

62827177

Analogs

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Popular Name: 3-bromo-2-[[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]amino]benzoic 3-bromo-2-[[[(1S)-1-cyclopropyle…

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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	8.63	-46.97	1	5	-1	72	340.197	4	↓ MOL2 SDF SMILES Flexibase

62827178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]amino]benzoic 3-bromo-2-[[[(1R)-1-cyclopropyle…

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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	8.7	-47.54	1	5	-1	72	340.197	4	↓ MOL2 SDF SMILES Flexibase

62827210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic 3-bromo-2-[[cyclopropylmethyl(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)	3.37	8.32	-46.85	1	5	-1	72	326.17	4	↓ MOL2 SDF SMILES Flexibase

62827251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[cyclopropylmethyl(propyl)carbamoyl]amino]benzoic 3-bromo-2-[[cyclopropylmethyl(pr…

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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)	4.24	10.03	-50.45	1	5	-1	72	354.224	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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