ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

48631216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1S,3R)-3-methylcyclohexyl]pyrimidin-4-amine 6-chloro-N-[(1S,3R)-3-methylcycl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.93	6.65	-3.66	1	3	0	38	225.723	2	↓ MOL2 SDF SMILES Flexibase

48631217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1S,3S)-3-methylcyclohexyl]pyrimidin-4-amine 6-chloro-N-[(1S,3S)-3-methylcycl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.93	6.95	-3.84	1	3	0	38	225.723	2	↓ MOL2 SDF SMILES Flexibase

48631218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1R,3R)-3-methylcyclohexyl]pyrimidin-4-amine 6-chloro-N-[(1R,3R)-3-methylcycl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.93	6.95	-3.85	1	3	0	38	225.723	2	↓ MOL2 SDF SMILES Flexibase

48631219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine 6-chloro-N-[(1R,3S)-3-methylcycl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.93	6.65	-3.64	1	3	0	38	225.723	2	↓ MOL2 SDF SMILES Flexibase

52814181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-cyclohexyl-N,6-dimethyl-pyrimidin-4-amine 2-chloro-N-cyclohexyl-N,6-dimeth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.58	7.94	-6.58	0	3	0	29	239.75	2	↓ MOL2 SDF SMILES Flexibase

52814183

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-cyclohexyl-N-ethyl-6-methyl-pyrimidin-4-amine 2-chloro-N-cyclohexyl-N-ethyl-6-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.96	9.38	-5.78	0	3	0	29	253.777	3	↓ MOL2 SDF SMILES Flexibase

52814222

Analogs

53128390
53128432
53128533
53128536
53128539

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-cyclohexyl-6-methylpyrimidin-4-amine 2-chloro-N-cyclohexyl-6-methylpy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.34	6.02	-5.45	1	3	0	38	225.723	2	↓ MOL2 SDF SMILES Flexibase

52814234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-Chloro-6-methyl-pyrimidin-4-ylamino)-cyclohexanol 4-(2-Chloro-6-methyl-pyrimidin-4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.72	2.98	-9.13	2	4	0	58	241.722	2	↓ MOL2 SDF SMILES Flexibase

52814268

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[(1R,2S,3S)-2,3-dimet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.82	6.93	-5.21	1	3	0	38	253.777	2	↓ MOL2 SDF SMILES Flexibase

52814269

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[(1S,2S,3S)-2,3-dimet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.82	7.04	-5.12	1	3	0	38	253.777	2	↓ MOL2 SDF SMILES Flexibase

52814270

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[(1R,2S,3R)-2,3-dimet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.82	7.57	-5.57	1	3	0	38	253.777	2	↓ MOL2 SDF SMILES Flexibase

52814271

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[(1S,2S,3R)-2,3-dimet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.82	7.26	-5.12	1	3	0	38	253.777	2	↓ MOL2 SDF SMILES Flexibase

52814274

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(1R,2S)-2-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.58	7.09	-5.65	1	3	0	38	239.75	2	↓ MOL2 SDF SMILES Flexibase

52814275

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-methyl-N-[(1S,2S)-2-methylcyclohexyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(1S,2S)-2-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.58	6.79	-5.22	1	3	0	38	239.75	2	↓ MOL2 SDF SMILES Flexibase

52814276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(1R,2R)-2-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.58	6.79	-5.22	1	3	0	38	239.75	2	↓ MOL2 SDF SMILES Flexibase

52814277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(1S,2R)-2-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.58	7.09	-5.66	1	3	0	38	239.75	2	↓ MOL2 SDF SMILES Flexibase

52814291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine 2-chloro-6-methyl-N-(4-methylcyc…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.11	6.92	-5.88	1	3	0	38	239.75	2	↓ MOL2 SDF SMILES Flexibase

52814329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-methyl-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(1R,3S)-3-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.34	6.63	-5.33	1	3	0	38	239.75	2	↓ MOL2 SDF SMILES Flexibase

52814330

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-methyl-N-[(1S,3S)-3-methylcyclohexyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(1S,3S)-3-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.34	6.93	-5.78	1	3	0	38	239.75	2	↓ MOL2 SDF SMILES Flexibase

52814331

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-methyl-N-[(1R,3R)-3-methylcyclohexyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(1R,3R)-3-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.34	6.93	-5.8	1	3	0	38	239.75	2	↓ MOL2 SDF SMILES Flexibase

52814332

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-methyl-N-[(1S,3R)-3-methylcyclohexyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(1S,3R)-3-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.34	6.63	-5.34	1	3	0	38	239.75	2	↓ MOL2 SDF SMILES Flexibase

52814540

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine 2-chloro-N,6-dimethyl-N-(4-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	8.72	-6.32	0	3	0	29	253.777	2	↓ MOL2 SDF SMILES Flexibase

52814560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N,6-dimethyl-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine 2-chloro-N,6-dimethyl-N-[(1R,3S)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	8.55	-6.51	0	3	0	29	253.777	2	↓ MOL2 SDF SMILES Flexibase

52814562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N,6-dimethyl-N-[(1S,3S)-3-methylcyclohexyl]pyrimidin-4-amine 2-chloro-N,6-dimethyl-N-[(1S,3S)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	8.72	-6.39	0	3	0	29	253.777	2	↓ MOL2 SDF SMILES Flexibase

52814573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(4-ethylcyclohexyl)-N,6-dimethyl-pyrimidin-4-amine 2-chloro-N-(4-ethylcyclohexyl)-N…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.04	9.11	-5.54	0	3	0	29	267.804	3	↓ MOL2 SDF SMILES Flexibase

52814603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1S,2R)-2-ethylcyclohexyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[(1S,2R)-2-ethylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.08	7.73	-5.6	1	3	0	38	253.777	3	↓ MOL2 SDF SMILES Flexibase

52814604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1S,2S)-2-ethylcyclohexyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[(1S,2S)-2-ethylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.08	7.44	-5.14	1	3	0	38	253.777	3	↓ MOL2 SDF SMILES Flexibase

52814605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R,2R)-2-ethylcyclohexyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[(1R,2R)-2-ethylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.08	7.43	-5.15	1	3	0	38	253.777	3	↓ MOL2 SDF SMILES Flexibase

52814606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R,2S)-2-ethylcyclohexyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[(1R,2S)-2-ethylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.08	7.72	-5.62	1	3	0	38	253.777	3	↓ MOL2 SDF SMILES Flexibase

52814608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(4-ethylcyclohexyl)-6-methyl-pyrimidin-4-amine 2-chloro-N-(4-ethylcyclohexyl)-6…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.79	7.58	-5.91	1	3	0	38	253.777	3	↓ MOL2 SDF SMILES Flexibase

52814763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chloro-6-methyl-pyrimidin-4-yl)-cyclohexyl-amino]ethanol 2-[(2-chloro-6-methyl-pyrimidin-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.95	6.12	-7.42	1	4	0	49	269.776	4	↓ MOL2 SDF SMILES Flexibase

52814795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrimidin-4-amine 2-chloro-N,6-dimethyl-N-[(1R,2S)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.82	8.53	-6.33	0	3	0	29	253.777	2	↓ MOL2 SDF SMILES Flexibase

52814797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N,6-dimethyl-N-[(1S,2S)-2-methylcyclohexyl]pyrimidin-4-amine 2-chloro-N,6-dimethyl-N-[(1S,2S)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.82	8.91	-6.37	0	3	0	29	253.777	2	↓ MOL2 SDF SMILES Flexibase

52814927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-methyl-N-(1-methylcyclohexyl)pyrimidin-4-amine 2-chloro-6-methyl-N-(1-methylcyc…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.78	7.71	-5.35	1	3	0	38	239.75	2	↓ MOL2 SDF SMILES Flexibase

52815083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2-chloro-6-methyl-pyrimidin-4-yl)amino]cyclohexanol (1S,2R)-2-[(2-chloro-6-methyl-py…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.19	3.02	-7.89	2	4	0	58	241.722	2	↓ MOL2 SDF SMILES Flexibase

52815085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(2-chloro-6-methyl-pyrimidin-4-yl)amino]cyclohexanol (1S,2S)-2-[(2-chloro-6-methyl-py…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.19	2.71	-7.29	2	4	0	58	241.722	2	↓ MOL2 SDF SMILES Flexibase

52815086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(2-chloro-6-methyl-pyrimidin-4-yl)amino]cyclohexanol (1R,2R)-2-[(2-chloro-6-methyl-py…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.19	2.71	-7.32	2	4	0	58	241.722	2	↓ MOL2 SDF SMILES Flexibase

52815088

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(2-chloro-6-methyl-pyrimidin-4-yl)amino]cyclohexanol (1R,2S)-2-[(2-chloro-6-methyl-py…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.19	2.92	-7.38	2	4	0	58	241.722	2	↓ MOL2 SDF SMILES Flexibase

52835717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-cyclohexyl-N,2-dimethyl-pyrimidin-4-amine 6-chloro-N-cyclohexyl-N,2-dimeth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.25	7.9	-4.77	0	3	0	29	239.75	2	↓ MOL2 SDF SMILES Flexibase

52835722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-cyclohexyl-N-ethyl-2-methyl-pyrimidin-4-amine 6-chloro-N-cyclohexyl-N-ethyl-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.63	9.34	-4.24	0	3	0	29	253.777	3	↓ MOL2 SDF SMILES Flexibase

52835815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-cyclohexyl-2-methyl-pyrimidin-4-amine 6-chloro-N-cyclohexyl-2-methyl-p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.01	5.99	-4.06	1	3	0	38	225.723	2	↓ MOL2 SDF SMILES Flexibase

52835854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(6-chloro-2-methyl-pyrimidin-4-yl)amino]cyclohexanol 4-[(6-chloro-2-methyl-pyrimidin-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.39	2.95	-7.09	2	4	0	58	241.722	2	↓ MOL2 SDF SMILES Flexibase

52835934

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[(1R,2S,3S)-2,3-dimet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	6.9	-3.72	1	3	0	38	253.777	2	↓ MOL2 SDF SMILES Flexibase

52835935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[(1S,2S,3S)-2,3-dimet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-3.74	1	3	0	38	253.777	2	↓ MOL2 SDF SMILES Flexibase

52835938

Analogs

42870958
42870960
42870962
42870964

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[(1R,2S,3R)-2,3-dimet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	7.53	-3.88	1	3	0	38	253.777	2	↓ MOL2 SDF SMILES Flexibase

52835942

Analogs

42870958
42870960
42870962
42870964

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[(1S,2S,3R)-2,3-dimet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	7.23	-3.68	1	3	0	38	253.777	2	↓ MOL2 SDF SMILES Flexibase

52835948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-2-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(1R,2S)-2-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.25	7.06	-4.01	1	3	0	38	239.75	2	↓ MOL2 SDF SMILES Flexibase

52835951

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(1S,2S)-2-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.25	6.76	-3.82	1	3	0	38	239.75	2	↓ MOL2 SDF SMILES Flexibase

52835953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-2-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(1R,2R)-2-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.25	6.76	-3.84	1	3	0	38	239.75	2	↓ MOL2 SDF SMILES Flexibase

52835957

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(1S,2R)-2-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.25	7.06	-4.02	1	3	0	38	239.75	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 21823
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 21823 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=21823&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "21823"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations