ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36880912

Analogs

42309333
4833717
2171157

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-aminocyclohexyl)-3-cyclohexyl-urea 1-(4-aminocyclohexyl)-3-cyclohex…

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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)	1.45	2.63	-49.32	5	4	1	69	240.371	2	↓ MOL2 SDF SMILES Flexibase

36880932

Analogs

42309333
4833717
2171157

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclohexyl-3-[4-(methylamino)cyclohexyl]urea 1-cyclohexyl-3-[4-(methylamino)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)	2.36	4.33	-44.13	4	4	1	58	254.398	3	↓ MOL2 SDF SMILES Flexibase

36880951

Analogs

44456782
5591586
5591589
4833717

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclohexyl-3-[4-(ethylamino)cyclohexyl]urea 1-cyclohexyl-3-[4-(ethylamino)cy…

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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	5.6	-46.51	4	4	1	58	268.425	4	↓ MOL2 SDF SMILES Flexibase

36880968

Analogs

44456782
5591589
5591586
395427

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclohexyl-3-[4-(propylamino)cyclohexyl]urea 1-cyclohexyl-3-[4-(propylamino)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)	3.24	6.35	-47.48	4	4	1	58	282.452	5	↓ MOL2 SDF SMILES Flexibase

69058522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-(cyclohexylcarbamoyl)hexadecanamide N-cyclohexyl-N-(cyclohexylcarbam…

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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)	9.43	20.51	-16.33	1	4	0	49	462.763	16	↓ MOL2 SDF SMILES Flexibase

69058525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-(cyclohexylcarbamoyl)octadecanamide N-cyclohexyl-N-(cyclohexylcarbam…

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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)	9.65	22.07	-16.28	1	4	0	49	490.817	18	↓ MOL2 SDF SMILES Flexibase

69058541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-(cyclohexylcarbamoyl)undec-10-enamide N-cyclohexyl-N-(cyclohexylcarbam…

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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)	8.12	16.38	-16.49	1	4	0	49	390.612	11	↓ MOL2 SDF SMILES Flexibase

69058582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-N-cyclohexyl-N-(cyclohexylcarbamoyl)octadec-9-enamide (Z)-N-cyclohexyl-N-(cyclohexylca…

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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)	9.55	21.77	-16.65	1	4	0	49	488.801	17	↓ MOL2 SDF SMILES Flexibase

69061321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z,9R)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-9-hydroxy-octadec-12-enamide (Z,9R)-N-cyclohexyl-N-(cyclohexy…

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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)	9.13	18.52	-18.36	2	5	0	70	504.8	17	↓ MOL2 SDF SMILES Flexibase

69061327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z,12R)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-12-hydroxy-octadec-9-enamide (Z,12R)-N-cyclohexyl-N-(cyclohex…

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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)	9.12	18.51	-18.66	2	5	0	70	504.8	17	↓ MOL2 SDF SMILES Flexibase

69739105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-hydroxycyclohexyl)-3-[(1S,2S)-2-isopropylcyclohexyl]urea 1-(4-hydroxycyclohexyl)-3-[(1S,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)	3.68	4.42	-9.81	3	4	0	61	282.428	3	↓ MOL2 SDF SMILES Flexibase

69739106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-hydroxycyclohexyl)-3-[(1S,2R)-2-isopropylcyclohexyl]urea 1-(4-hydroxycyclohexyl)-3-[(1S,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)	3.68	4.39	-8.69	3	4	0	61	282.428	3	↓ MOL2 SDF SMILES Flexibase

69739107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-hydroxycyclohexyl)-3-[(1R,2S)-2-isopropylcyclohexyl]urea 1-(4-hydroxycyclohexyl)-3-[(1R,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)	3.68	3.95	-10.24	3	4	0	61	282.428	3	↓ MOL2 SDF SMILES Flexibase

69739108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-hydroxycyclohexyl)-3-[(1R,2R)-2-isopropylcyclohexyl]urea 1-(4-hydroxycyclohexyl)-3-[(1R,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)	3.68	4.84	-8.35	3	4	0	61	282.428	3	↓ MOL2 SDF SMILES Flexibase

40547776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-methylcyclohexyl)carbamoylamino]cyclohexanecarboxylic 1-[(4-methylcyclohexyl)carbamoyl…

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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)	0.67	7.79	-60.48	2	5	-1	81	281.376	3	↓ MOL2 SDF SMILES Flexibase

40547789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(4-methylcyclohexyl)carbamoylamino]cyclohexanecarboxylic 4-methyl-1-[(4-methylcyclohexyl)…

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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)	0.44	8.38	-60.24	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

40547818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-methylcyclohexyl)carbamoylamino]cyclohexanecarboxylic 4-[(4-methylcyclohexyl)carbamoyl…

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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)	1.97	6.93	-51.53	2	5	-1	81	281.376	3	↓ MOL2 SDF SMILES Flexibase

40548746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-hydroxycyclohexyl)carbamoylamino]cyclohexanecarboxylic 1-[(4-hydroxycyclohexyl)carbamoy…

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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)	-0.72	3.57	-60.73	3	6	-1	101	283.348	3	↓ MOL2 SDF SMILES Flexibase

40548769

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-hydroxycyclohexyl)carbamoylamino]-4-methyl-cyclohexanecarboxylic 1-[(4-hydroxycyclohexyl)carbamoy…

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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)	-0.95	4.16	-60.55	3	6	-1	101	297.375	3	↓ MOL2 SDF SMILES Flexibase

40548816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-hydroxycyclohexyl)carbamoylamino]cyclohexanecarboxylic 4-[(4-hydroxycyclohexyl)carbamoy…

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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)	0.58	2.6	-55.55	3	6	-1	101	283.348	3	↓ MOL2 SDF SMILES Flexibase

40549265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[cyclohexyl(methyl)carbamoyl]amino]cyclohexanecarboxylic 1-[[cyclohexyl(methyl)carbamoyl]…

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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)	1.69	8.81	-61.88	1	5	-1	72	281.376	3	↓ MOL2 SDF SMILES Flexibase

40549289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[cyclohexyl(methyl)carbamoyl]amino]-4-methyl-cyclohexanecarboxylic 1-[[cyclohexyl(methyl)carbamoyl]…

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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)	1.47	9.39	-61.84	1	5	-1	72	295.403	3	↓ MOL2 SDF SMILES Flexibase

40549333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[cyclohexyl(methyl)carbamoyl]amino]cyclohexanecarboxylic 4-[[cyclohexyl(methyl)carbamoyl]…

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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)	3.00	8.43	-48	1	5	-1	72	281.376	3	↓ MOL2 SDF SMILES Flexibase

40550120

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[cyclohexyl(ethyl)carbamoyl]amino]cyclohexanecarboxylic 1-[[cyclohexyl(ethyl)carbamoyl]a…

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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)	2.07	9.65	-61.17	1	5	-1	72	295.403	4	↓ MOL2 SDF SMILES Flexibase

40550145

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[cyclohexyl(ethyl)carbamoyl]amino]cyclohexanecarboxylic 4-[[cyclohexyl(ethyl)carbamoyl]a…

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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	9.37	-48.04	1	5	-1	72	295.403	4	↓ MOL2 SDF SMILES Flexibase

40551002

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 1-[[(1S,2R)-2-methylcyclohexyl]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)	1.14	8.04	-59.73	2	5	-1	81	281.376	3	↓ MOL2 SDF SMILES Flexibase

40551004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 1-[[(1S,2S)-2-methylcyclohexyl]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)	1.14	7.63	-60.75	2	5	-1	81	281.376	3	↓ MOL2 SDF SMILES Flexibase

40551006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 1-[[(1R,2R)-2-methylcyclohexyl]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)	1.14	7.63	-60.75	2	5	-1	81	281.376	3	↓ MOL2 SDF SMILES Flexibase

40551007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 1-[[(1R,2S)-2-methylcyclohexyl]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)	1.14	8.04	-60.52	2	5	-1	81	281.376	3	↓ MOL2 SDF SMILES Flexibase

40551028

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 4-methyl-1-[[(1R,2S)-2-methylcyc…

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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)	0.91	8.43	-60.8	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

40551029

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 4-methyl-1-[[(1S,2S)-2-methylcyc…

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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)	0.91	8.22	-60.41	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

40551030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 4-methyl-1-[[(1R,2R)-2-methylcyc…

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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)	0.91	8.02	-60.93	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

40551031

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 4-methyl-1-[[(1S,2R)-2-methylcyc…

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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)	0.91	8.43	-60.81	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

40551080

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 4-[[(1S,2R)-2-methylcyclohexyl]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)	2.44	7.18	-51.65	2	5	-1	81	281.376	3	↓ MOL2 SDF SMILES Flexibase

40551081

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 4-[[(1S,2S)-2-methylcyclohexyl]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)	2.44	7.24	-47.72	2	5	-1	81	281.376	3	↓ MOL2 SDF SMILES Flexibase

40551082

Analogs

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Popular Name: 4-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 4-[[(1R,2R)-2-methylcyclohexyl]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)	2.44	6.78	-52.23	2	5	-1	81	281.376	3	↓ MOL2 SDF SMILES Flexibase

40551083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 4-[[(1R,2S)-2-methylcyclohexyl]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)	2.44	7.64	-47.28	2	5	-1	81	281.376	3	↓ MOL2 SDF SMILES Flexibase

70116127

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 1-[[(1S,2R,4R)-2,4-dimethylcyclo…

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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)	1.14	8.64	-59.35	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

70116128

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 1-[[(1S,2R,4S)-2,4-dimethylcyclo…

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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)	1.14	7.83	-60.64	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

70116129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 1-[[(1R,2R,4R)-2,4-dimethylcyclo…

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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)	1.14	8.24	-60.65	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

70116130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 1-[[(1R,2R,4S)-2,4-dimethylcyclo…

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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)	1.14	8.01	-60.78	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

70116203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]carbamoylamino]cyclohexanecarboxylic (1S,3R)-3-[[(1S,2R,4R)-2,4-dimet…

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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	7.81	-47.01	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

70116204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]carbamoylamino]cyclohexanecarboxylic (1S,3R)-3-[[(1S,2R,4S)-2,4-dimet…

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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	6.99	-47.52	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

70116205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]carbamoylamino]cyclohexanecarboxylic (1S,3R)-3-[[(1R,2R,4R)-2,4-dimet…

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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	7.41	-47.67	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

70116206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]carbamoylamino]cyclohexanecarboxylic (1S,3R)-3-[[(1R,2R,4S)-2,4-dimet…

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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	7.17	-47.65	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

70116263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 4-[[(1S,2R,4R)-2,4-dimethylcyclo…

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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)	2.45	7.79	-51.48	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

70116264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 4-[[(1S,2R,4S)-2,4-dimethylcyclo…

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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)	2.45	7.43	-47.53	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

70116265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 4-[[(1R,2R,4R)-2,4-dimethylcyclo…

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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)	2.45	7.39	-52.17	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

70116266

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]carbamoylamino]cyclohexanecarboxylic 4-[[(1R,2R,4S)-2,4-dimethylcyclo…

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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)	2.45	7.16	-52.06	2	5	-1	81	295.403	3	↓ MOL2 SDF SMILES Flexibase

48968522

Analogs

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Popular Name: 4-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]cyclohexanecarboxylic 4-[[methyl-(4-methylcyclohexyl)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)	2.77	8.57	-53.18	1	5	-1	72	295.403	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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