ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36541662

Analogs

36541663
36541664
36541665
36541666
36541667

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-trimeth (1R,2R,3R,5S)-N-[(1S)-2-(tert-bu…

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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)	7.84	14.63	-11.16	1	4	0	49	487.128	6	↓ MOL2 SDF SMILES Flexibase

36541663

Analogs

36541664
36541665
36541666
36541667
36541716

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R)-2-(tert-butylamino)-1-cyclohexyl-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-trimeth (1R,2R,3R,5S)-N-[(1R)-2-(tert-bu…

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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)	7.84	16.39	-12.29	1	4	0	49	487.128	6	↓ MOL2 SDF SMILES Flexibase

36541664

Analogs

36541665
36541666
36541667
36541716
36541742

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-(2-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxo-ethyl]-2,6,6-trimeth (1R,2R,3R,5S)-N-(2-chlorophenyl)…

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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)	8.44	16.84	-7.94	1	4	0	49	513.166	6	↓ MOL2 SDF SMILES Flexibase

36541665

Analogs

36541666
36541667
36541716
36541742
36541743

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-(2-chlorophenyl)-N-[(1R)-1-cyclohexyl-2-(cyclohexylamino)-2-oxo-ethyl]-2,6,6-trimeth (1R,2R,3R,5S)-N-(2-chlorophenyl)…

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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)	8.44	17.96	-13.83	1	4	0	49	513.166	6	↓ MOL2 SDF SMILES Flexibase

36541666

Analogs

36541667
36541716
36541742
36541743
36541744

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R)-2-(butylamino)-1-cyclohexyl-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-trimethyl-no (1R,2R,3R,5S)-N-[(1R)-2-(butylam…

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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)	8.09	15.56	-7.9	1	4	0	49	487.128	8	↓ MOL2 SDF SMILES Flexibase

36541667

Analogs

36541716
36541742
36541743
36541744
36541745

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S)-2-(butylamino)-1-cyclohexyl-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-trimethyl-no (1R,2R,3R,5S)-N-[(1S)-2-(butylam…

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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)	8.09	15.12	-8.01	1	4	0	49	487.128	8	↓ MOL2 SDF SMILES Flexibase

36541668

Analogs

36541669

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S)-2-(tert-butylamino)-1-(3-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6- (1R,2R,3R,5S)-N-[(1S)-2-(tert-bu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.64	11.36	-9.49	2	5	0	70	497.079	6	↓ MOL2 SDF SMILES Flexibase

36541669

Analogs

36541668

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R)-2-(tert-butylamino)-1-(3-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6- (1R,2R,3R,5S)-N-[(1R)-2-(tert-bu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.64	11.28	-11.56	2	5	0	70	497.079	6	↓ MOL2 SDF SMILES Flexibase

36541670

Analogs

36541671

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R)-2-(butylamino)-1-(3-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-trime (1R,2R,3R,5S)-N-[(1R)-2-(butylam…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.89	13.36	-14.65	2	5	0	70	497.079	8	↓ MOL2 SDF SMILES Flexibase

36541671

Analogs

36541670

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S)-2-(butylamino)-1-(3-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-trime (1R,2R,3R,5S)-N-[(1S)-2-(butylam…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.89	11.8	-10.09	2	5	0	70	497.079	8	↓ MOL2 SDF SMILES Flexibase

36541672

Analogs

36541673

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S)-2-(tert-butylamino)-1-(4-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6- (1R,2R,3R,5S)-N-[(1S)-2-(tert-bu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.67	11.37	-8.78	2	5	0	70	497.079	6	↓ MOL2 SDF SMILES Flexibase

36541673

Analogs

36541672

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R)-2-(tert-butylamino)-1-(4-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6- (1R,2R,3R,5S)-N-[(1R)-2-(tert-bu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.67	11.28	-11.69	2	5	0	70	497.079	6	↓ MOL2 SDF SMILES Flexibase

36541674

Analogs

36541675

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R)-2-(butylamino)-1-(4-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-trime (1R,2R,3R,5S)-N-[(1R)-2-(butylam…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.92	13.36	-14.66	2	5	0	70	497.079	8	↓ MOL2 SDF SMILES Flexibase

36541675

Analogs

36541674

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S)-2-(butylamino)-1-(4-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-trime (1R,2R,3R,5S)-N-[(1S)-2-(butylam…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.92	11.81	-9.62	2	5	0	70	497.079	8	↓ MOL2 SDF SMILES Flexibase

36541676

Analogs

36541677

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6 (1R,2R,3R,5S)-N-[(1S)-2-(tert-bu…

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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)	7.97	15.43	-6.65	1	4	0	49	509.134	6	↓ MOL2 SDF SMILES Flexibase

36541677

Analogs

36541676

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6 (1R,2R,3R,5S)-N-[(1R)-2-(tert-bu…

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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)	7.97	15.23	-6.05	1	4	0	49	509.134	6	↓ MOL2 SDF SMILES Flexibase

36541678

Analogs

36541679

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-tr (1R,2R,3R,5S)-N-[(1R)-2-(butylam…

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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)	8.20	15.53	-6.64	1	4	0	49	509.134	8	↓ MOL2 SDF SMILES Flexibase

36541679

Analogs

36541678

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-tr (1R,2R,3R,5S)-N-[(1S)-2-(butylam…

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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)	8.20	15.76	-7.21	1	4	0	49	509.134	8	↓ MOL2 SDF SMILES Flexibase

36541680

Analogs

36541681

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S)-2-(tert-butylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6- (1R,2R,3R,5S)-N-[(1S)-2-(tert-bu…

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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)	7.18	13.51	-9.07	1	5	0	59	511.106	7	↓ MOL2 SDF SMILES Flexibase

36541681

Analogs

36541680

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R)-2-(tert-butylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6- (1R,2R,3R,5S)-N-[(1R)-2-(tert-bu…

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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)	7.18	13.43	-11.52	1	5	0	59	511.106	7	↓ MOL2 SDF SMILES Flexibase

36541682

Analogs

36541683

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R)-2-(butylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-trime (1R,2R,3R,5S)-N-[(1R)-2-(butylam…

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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)	7.43	15.51	-16.1	1	5	0	59	511.106	9	↓ MOL2 SDF SMILES Flexibase

36541683

Analogs

36541682

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S)-2-(butylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-trime (1R,2R,3R,5S)-N-[(1S)-2-(butylam…

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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)	7.43	13.95	-9.65	1	5	0	59	511.106	9	↓ MOL2 SDF SMILES Flexibase

36541684

Analogs

36541685

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S)-2-(tert-butylamino)-1-(o-tolyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-trimethy (1R,2R,3R,5S)-N-[(1S)-2-(tert-bu…

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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)	7.54	14.83	-6.79	1	4	0	49	495.107	6	↓ MOL2 SDF SMILES Flexibase

36541685

Analogs

36541684

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R)-2-(tert-butylamino)-1-(o-tolyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-trimethy (1R,2R,3R,5S)-N-[(1R)-2-(tert-bu…

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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)	7.54	14.7	-6.13	1	4	0	49	495.107	6	↓ MOL2 SDF SMILES Flexibase

36541686

Analogs

36541687

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R)-2-(butylamino)-1-(o-tolyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-trimethyl-nor (1R,2R,3R,5S)-N-[(1R)-2-(butylam…

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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)	7.80	14.87	-6.65	1	4	0	49	495.107	8	↓ MOL2 SDF SMILES Flexibase

36541687

Analogs

36541686

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S)-2-(butylamino)-1-(o-tolyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-trimethyl-nor (1R,2R,3R,5S)-N-[(1S)-2-(butylam…

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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)	7.80	15.09	-7.3	1	4	0	49	495.107	8	↓ MOL2 SDF SMILES Flexibase

36541688

Analogs

36541689

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S)-2-(tert-butylamino)-1-(2-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6- (1R,2R,3R,5S)-N-[(1S)-2-(tert-bu…

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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)	7.08	11.69	-8.1	2	5	0	70	497.079	6	↓ MOL2 SDF SMILES Flexibase

36541689

Analogs

36541688

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R)-2-(tert-butylamino)-1-(2-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6- (1R,2R,3R,5S)-N-[(1R)-2-(tert-bu…

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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)	7.08	12.61	-12.27	2	5	0	70	497.079	6	↓ MOL2 SDF SMILES Flexibase

36541690

Analogs

36541691

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R)-2-(butylamino)-1-(2-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-trime (1R,2R,3R,5S)-N-[(1R)-2-(butylam…

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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)	7.34	11.7	-9.33	2	5	0	70	497.079	8	↓ MOL2 SDF SMILES Flexibase

36541691

Analogs

36541690

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S)-2-(butylamino)-1-(2-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2,6,6-trime (1R,2R,3R,5S)-N-[(1S)-2-(butylam…

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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)	7.34	12.01	-9.25	2	5	0	70	497.079	8	↓ MOL2 SDF SMILES Flexibase

36541692

Analogs

36541693
36541694
36541695
36541696
36541697

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S,2S)-1-(tert-butylcarbamoyl)-2-phenyl-propyl]-N-(2-chlorophenyl)-2,6,6-trimethyl (1R,2R,3R,5S)-N-[(1S,2S)-1-(tert…

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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)	8.14	15.86	-9.55	1	4	0	49	509.134	7	↓ MOL2 SDF SMILES Flexibase

36541693

Analogs

36541694
36541695
36541696
36541697
36541698

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R,2S)-1-(tert-butylcarbamoyl)-2-phenyl-propyl]-N-(2-chlorophenyl)-2,6,6-trimethyl (1R,2R,3R,5S)-N-[(1R,2S)-1-(tert…

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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)	8.14	15.97	-13.25	1	4	0	49	509.134	7	↓ MOL2 SDF SMILES Flexibase

36541694

Analogs

36541695
36541696
36541697
36541698
36541699

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S,2R)-1-(tert-butylcarbamoyl)-2-phenyl-propyl]-N-(2-chlorophenyl)-2,6,6-trimethyl (1R,2R,3R,5S)-N-[(1S,2R)-1-(tert…

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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)	8.14	15.75	-6.86	1	4	0	49	509.134	7	↓ MOL2 SDF SMILES Flexibase

36541695

Analogs

36541696
36541697
36541698
36541699
36541692

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R,2R)-1-(tert-butylcarbamoyl)-2-phenyl-propyl]-N-(2-chlorophenyl)-2,6,6-trimethyl (1R,2R,3R,5S)-N-[(1R,2R)-1-(tert…

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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)	8.14	15.62	-6.84	1	4	0	49	509.134	7	↓ MOL2 SDF SMILES Flexibase

36541696

Analogs

36541697
36541698
36541699
36541692
36541693

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R,2S)-1-(butylcarbamoyl)-2-phenyl-propyl]-N-(2-chlorophenyl)-2,6,6-trimethyl-norp (1R,2R,3R,5S)-N-[(1R,2S)-1-(buty…

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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)	8.34	16.12	-8.27	1	4	0	49	509.134	9	↓ MOL2 SDF SMILES Flexibase

36541697

Analogs

36541698
36541699
36541692
36541693
36541694

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S,2S)-1-(butylcarbamoyl)-2-phenyl-propyl]-N-(2-chlorophenyl)-2,6,6-trimethyl-norp (1R,2R,3R,5S)-N-[(1S,2S)-1-(buty…

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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)	8.34	15.18	-5.55	1	4	0	49	509.134	9	↓ MOL2 SDF SMILES Flexibase

36541698

Analogs

36541699
36541692
36541693
36541694
36541695

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R,2R)-1-(butylcarbamoyl)-2-phenyl-propyl]-N-(2-chlorophenyl)-2,6,6-trimethyl-norp (1R,2R,3R,5S)-N-[(1R,2R)-1-(buty…

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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)	8.34	15.93	-8.05	1	4	0	49	509.134	9	↓ MOL2 SDF SMILES Flexibase

36541699

Analogs

36541692
36541693
36541694
36541695
36541696

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S,2R)-1-(butylcarbamoyl)-2-phenyl-propyl]-N-(2-chlorophenyl)-2,6,6-trimethyl-norp (1R,2R,3R,5S)-N-[(1S,2R)-1-(buty…

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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)	8.34	17.8	-14.2	1	4	0	49	509.134	9	↓ MOL2 SDF SMILES Flexibase

36541700

Analogs

36541702

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(E,1S)-1-(tert-butylcarbamoyl)hex-2-enyl]-N-(2-chlorophenyl)-2,6,6-trimethyl-norpin (1R,2R,3R,5S)-N-[(E,1S)-1-(tert-…

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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)	7.74	14.57	-7.05	1	4	0	49	473.101	8	↓ MOL2 SDF SMILES Flexibase

36541702

Analogs

36541700

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(E,1R)-1-(tert-butylcarbamoyl)hex-2-enyl]-N-(2-chlorophenyl)-2,6,6-trimethyl-norpin (1R,2R,3R,5S)-N-[(E,1R)-1-(tert-…

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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)	7.74	14.62	-12.26	1	4	0	49	473.101	8	↓ MOL2 SDF SMILES Flexibase

36541704

Analogs

36541705

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-(2-chlorophenyl)-N-[(E,1S)-1-(cyclohexylcarbamoyl)hex-2-enyl]-2,6,6-trimethyl-norpin (1R,2R,3R,5S)-N-(2-chlorophenyl)…

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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)	8.38	17.44	-12.78	1	4	0	49	499.139	8	↓ MOL2 SDF SMILES Flexibase

36541705

Analogs

36541704

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-(2-chlorophenyl)-N-[(E,1R)-1-(cyclohexylcarbamoyl)hex-2-enyl]-2,6,6-trimethyl-norpin (1R,2R,3R,5S)-N-(2-chlorophenyl)…

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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)	8.38	16.97	-12.04	1	4	0	49	499.139	8	↓ MOL2 SDF SMILES Flexibase

36541706

Analogs

36541707

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(E,1R)-1-(butylcarbamoyl)hex-2-enyl]-N-(2-chlorophenyl)-2,6,6-trimethyl-norpinane-3 (1R,2R,3R,5S)-N-[(E,1R)-1-(butyl…

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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)	8.00	15.85	-12.26	1	4	0	49	473.101	10	↓ MOL2 SDF SMILES Flexibase

36541707

Analogs

36541706

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(E,1S)-1-(butylcarbamoyl)hex-2-enyl]-N-(2-chlorophenyl)-2,6,6-trimethyl-norpinane-3 (1R,2R,3R,5S)-N-[(E,1S)-1-(butyl…

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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)	8.00	16.31	-12.46	1	4	0	49	473.101	10	↓ MOL2 SDF SMILES Flexibase

36541708

Analogs

36541709

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenyl-ethyl]-N-(2-chlorophenyl)-2,6,6-trimethyl-n (1R,2R,3R,5S)-N-[(1S)-2-(tert-bu…

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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)	7.14	14.22	-7.5	1	4	0	49	481.08	6	↓ MOL2 SDF SMILES Flexibase

36541709

Analogs

36541708

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenyl-ethyl]-N-(2-chlorophenyl)-2,6,6-trimethyl-n (1R,2R,3R,5S)-N-[(1R)-2-(tert-bu…

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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)	7.14	14.14	-10.51	1	4	0	49	481.08	6	↓ MOL2 SDF SMILES Flexibase

36541710

Analogs

36541711

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-(2-chlorophenyl)-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenyl-ethyl]-2,6,6-trimethyl-n (1R,2R,3R,5S)-N-(2-chlorophenyl)…

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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)	7.86	15.61	-7.88	1	4	0	49	507.118	6	↓ MOL2 SDF SMILES Flexibase

36541711

Analogs

36541710

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-(2-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenyl-ethyl]-2,6,6-trimethyl-n (1R,2R,3R,5S)-N-(2-chlorophenyl)…

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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)	7.86	15.53	-11.65	1	4	0	49	507.118	6	↓ MOL2 SDF SMILES Flexibase

36541712

Analogs

36541713

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1R)-2-(butylamino)-2-oxo-1-phenyl-ethyl]-N-(2-chlorophenyl)-2,6,6-trimethyl-norpin (1R,2R,3R,5S)-N-[(1R)-2-(butylam…

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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)	7.40	16.21	-13.89	1	4	0	49	481.08	8	↓ MOL2 SDF SMILES Flexibase

36541713

Analogs

36541712

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R,5S)-N-[(1S)-2-(butylamino)-2-oxo-1-phenyl-ethyl]-N-(2-chlorophenyl)-2,6,6-trimethyl-norpin (1R,2R,3R,5S)-N-[(1S)-2-(butylam…

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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)	7.40	14.66	-8.12	1	4	0	49	481.08	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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