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

50656237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-pyrimidin-2-amine N-methyl-5-[(3R)-3-methylmorphol…

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)	0.25	1.11	-9.74	1	7	0	84	272.33	3	↓ MOL2 SDF SMILES Flexibase

50656240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-5-[(3S)-3-methylmorpholin-4-yl]sulfonyl-pyrimidin-2-amine N-methyl-5-[(3S)-3-methylmorphol…

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)	0.25	1.11	-9.68	1	7	0	84	272.33	3	↓ MOL2 SDF SMILES Flexibase

50656242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-[(3S)-3-methylmorpholin-4-yl]sulfonyl-pyrimidin-2-amine N-ethyl-5-[(3S)-3-methylmorpholi…

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)	0.62	1.97	-9.15	1	7	0	84	286.357	4	↓ MOL2 SDF SMILES Flexibase

50656245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-pyrimidin-2-amine N-ethyl-5-[(3R)-3-methylmorpholi…

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)	0.62	1.93	-9.16	1	7	0	84	286.357	4	↓ MOL2 SDF SMILES Flexibase

50656248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-methylmorpholin-4-yl]sulfonyl-N-propyl-pyrimidin-2-amine 5-[(3S)-3-methylmorpholin-4-yl]s…

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)	1.12	2.72	-8.93	1	7	0	84	300.384	5	↓ MOL2 SDF SMILES Flexibase

50656250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-N-propyl-pyrimidin-2-amine 5-[(3R)-3-methylmorpholin-4-yl]s…

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)	1.12	2.71	-8.93	1	7	0	84	300.384	5	↓ MOL2 SDF SMILES Flexibase

50656302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrimidin-2-amine 5-[(3R)-3-methylmorpholin-4-yl]s…

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)	-0.55	0	-9.5	2	7	0	98	258.303	2	↓ MOL2 SDF SMILES Flexibase

50656304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-methylmorpholin-4-yl]sulfonylpyrimidin-2-amine 5-[(3S)-3-methylmorpholin-4-yl]s…

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)	-0.55	0	-9.43	2	7	0	98	258.303	2	↓ MOL2 SDF SMILES Flexibase

50656631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-N-methyl-pyrimidin-2-amine 5-[(2R,5R)-2,5-dimethylmorpholin…

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)	0.61	1.96	-9.83	1	7	0	84	286.357	3	↓ MOL2 SDF SMILES Flexibase

50656633

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-N-methyl-pyrimidin-2-amine 5-[(2S,5R)-2,5-dimethylmorpholin…

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)	0.61	1.86	-9.42	1	7	0	84	286.357	3	↓ MOL2 SDF SMILES Flexibase

50656635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-N-ethyl-pyrimidin-2-amine 5-[(2S,5S)-2,5-dimethylmorpholin…

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)	0.98	2.78	-9.39	1	7	0	84	300.384	4	↓ MOL2 SDF SMILES Flexibase

50656637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-N-ethyl-pyrimidin-2-amine 5-[(2R,5S)-2,5-dimethylmorpholin…

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)	0.98	2.71	-8.92	1	7	0	84	300.384	4	↓ MOL2 SDF SMILES Flexibase

50656640

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-N-propyl-pyrimidin-2-amine 5-[(2S,5S)-2,5-dimethylmorpholin…

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)	1.49	3.54	-9.17	1	7	0	84	314.411	5	↓ MOL2 SDF SMILES Flexibase

50656643

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-N-propyl-pyrimidin-2-amine 5-[(2R,5S)-2,5-dimethylmorpholin…

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)	1.49	3.47	-8.74	1	7	0	84	314.411	5	↓ MOL2 SDF SMILES Flexibase

50656688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonylpyrimidin-2-amine 5-[(2R,5R)-2,5-dimethylmorpholin…

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)	-0.19	0.86	-9.74	2	7	0	98	272.33	2	↓ MOL2 SDF SMILES Flexibase

50656689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,5R)-2,5-dimethylmorpholin-4-yl]sulfonylpyrimidin-2-amine 5-[(2S,5R)-2,5-dimethylmorpholin…

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)	-0.19	0.75	-9.22	2	7	0	98	272.33	2	↓ MOL2 SDF SMILES Flexibase

50657349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-ethylmorpholin-4-yl]sulfonyl-N-methyl-pyrimidin-2-amine 5-[(2R)-2-ethylmorpholin-4-yl]su…

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)	0.78	2.1	-10.04	1	7	0	84	286.357	4	↓ MOL2 SDF SMILES Flexibase

50657353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-ethylmorpholin-4-yl]sulfonyl-N-methyl-pyrimidin-2-amine 5-[(2S)-2-ethylmorpholin-4-yl]su…

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)	0.78	2.15	-10.05	1	7	0	84	286.357	4	↓ MOL2 SDF SMILES Flexibase

50657357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-[(2R)-2-ethylmorpholin-4-yl]sulfonyl-pyrimidin-2-amine N-ethyl-5-[(2R)-2-ethylmorpholin…

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)	1.16	2.93	-9.57	1	7	0	84	300.384	5	↓ MOL2 SDF SMILES Flexibase

50657361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-[(2S)-2-ethylmorpholin-4-yl]sulfonyl-pyrimidin-2-amine N-ethyl-5-[(2S)-2-ethylmorpholin…

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)	1.16	2.98	-9.53	1	7	0	84	300.384	5	↓ MOL2 SDF SMILES Flexibase

50657363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-ethylmorpholin-4-yl]sulfonyl-N-propyl-pyrimidin-2-amine 5-[(2R)-2-ethylmorpholin-4-yl]su…

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)	1.66	3.67	-9.31	1	7	0	84	314.411	6	↓ MOL2 SDF SMILES Flexibase

50657366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-ethylmorpholin-4-yl]sulfonyl-N-propyl-pyrimidin-2-amine 5-[(2S)-2-ethylmorpholin-4-yl]su…

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)	1.66	3.74	-9.29	1	7	0	84	314.411	6	↓ MOL2 SDF SMILES Flexibase

50657410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-ethylmorpholin-4-yl]sulfonylpyrimidin-2-amine 5-[(2R)-2-ethylmorpholin-4-yl]su…

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)	-0.01	1	-9.92	2	7	0	98	272.33	3	↓ MOL2 SDF SMILES Flexibase

50657412

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-ethylmorpholin-4-yl]sulfonylpyrimidin-2-amine 5-[(2S)-2-ethylmorpholin-4-yl]su…

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)	-0.01	1.04	-9.91	2	7	0	98	272.33	3	↓ MOL2 SDF SMILES Flexibase

50659193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-methyl-pyrimidin-2-amine 5-(2,2-dimethylmorpholin-4-yl)su…

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)	0.73	2	-9.91	1	7	0	84	286.357	3	↓ MOL2 SDF SMILES Flexibase

50659195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-pyrimidin-2-amine 5-(2,2-dimethylmorpholin-4-yl)su…

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)	1.10	2.85	-9.36	1	7	0	84	300.384	4	↓ MOL2 SDF SMILES Flexibase

50659198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propyl-pyrimidin-2-amine 5-(2,2-dimethylmorpholin-4-yl)su…

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)	1.60	3.6	-9.11	1	7	0	84	314.411	5	↓ MOL2 SDF SMILES Flexibase

50659222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2,2-dimethylmorpholin-4-yl)sulfonylpyrimidin-2-amine 5-(2,2-dimethylmorpholin-4-yl)su…

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)	-0.07	0.9	-9.71	2	7	0	98	272.33	2	↓ MOL2 SDF SMILES Flexibase

50659313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethylmorpholin-4-yl]sulfonyl-N-methyl-pyrimidin-2-amine 5-[(3R)-3-ethylmorpholin-4-yl]su…

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)	0.78	1.54	-9.31	1	7	0	84	286.357	4	↓ MOL2 SDF SMILES Flexibase

50659319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethylmorpholin-4-yl]sulfonyl-N-methyl-pyrimidin-2-amine 5-[(3S)-3-ethylmorpholin-4-yl]su…

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)	0.78	1.73	-9.36	1	7	0	84	286.357	4	↓ MOL2 SDF SMILES Flexibase

50659322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-[(3R)-3-ethylmorpholin-4-yl]sulfonyl-pyrimidin-2-amine N-ethyl-5-[(3R)-3-ethylmorpholin…

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)	1.16	2.37	-8.78	1	7	0	84	300.384	5	↓ MOL2 SDF SMILES Flexibase

50659323

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-[(3S)-3-ethylmorpholin-4-yl]sulfonyl-pyrimidin-2-amine N-ethyl-5-[(3S)-3-ethylmorpholin…

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)	1.16	2.56	-8.87	1	7	0	84	300.384	5	↓ MOL2 SDF SMILES Flexibase

50659325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethylmorpholin-4-yl]sulfonyl-N-propyl-pyrimidin-2-amine 5-[(3S)-3-ethylmorpholin-4-yl]su…

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)	1.66	3.35	-8.64	1	7	0	84	314.411	6	↓ MOL2 SDF SMILES Flexibase

50659328

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethylmorpholin-4-yl]sulfonyl-N-propyl-pyrimidin-2-amine 5-[(3R)-3-ethylmorpholin-4-yl]su…

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)	1.66	3.12	-8.52	1	7	0	84	314.411	6	↓ MOL2 SDF SMILES Flexibase

50659366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethylmorpholin-4-yl]sulfonylpyrimidin-2-amine 5-[(3R)-3-ethylmorpholin-4-yl]su…

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)	-0.01	0.43	-9.15	2	7	0	98	272.33	3	↓ MOL2 SDF SMILES Flexibase

50659368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethylmorpholin-4-yl]sulfonylpyrimidin-2-amine 5-[(3S)-3-ethylmorpholin-4-yl]su…

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)	-0.01	0.63	-9.18	2	7	0	98	272.33	3	↓ MOL2 SDF SMILES Flexibase

41071100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-morpholinosulfonylpyrimidin-2-yl)hydrazine (5-morpholinosulfonylpyrimidin-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)	-1.12	-0.72	-10.9	3	8	0	110	259.291	3	↓ MOL2 SDF SMILES Flexibase

41071110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrimidin-2-yl]hydrazine [5-[(2S,6R)-2,6-dimethylmorpholi…

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)	-0.39	0.79	-10.46	3	8	0	110	287.345	3	↓ MOL2 SDF SMILES Flexibase

41071111

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpyrimidin-2-yl]hydrazine [5-[(2S,6S)-2,6-dimethylmorpholi…

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)	-0.39	0.79	-10.16	3	8	0	110	287.345	3	↓ MOL2 SDF SMILES Flexibase

41071112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrimidin-2-yl]hydrazine [5-[(2R,6R)-2,6-dimethylmorpholi…

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)	-0.39	0.79	-10.11	3	8	0	110	287.345	3	↓ MOL2 SDF SMILES Flexibase

41071116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2R)-2-methylmorpholin-4-yl]sulfonylpyrimidin-2-yl]hydrazine [5-[(2R)-2-methylmorpholin-4-yl]…

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)	-0.76	0.04	-10.64	3	8	0	110	273.318	3	↓ MOL2 SDF SMILES Flexibase

41071117

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2S)-2-methylmorpholin-4-yl]sulfonylpyrimidin-2-yl]hydrazine [5-[(2S)-2-methylmorpholin-4-yl]…

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)	-0.76	0.08	-10.65	3	8	0	110	273.318	3	↓ MOL2 SDF SMILES Flexibase

41071285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrimidin-2-yl]hydrazine [5-[(3R)-3-methylmorpholin-4-yl]…

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)	-0.79	-0.12	-10.15	3	8	0	110	273.318	3	↓ MOL2 SDF SMILES Flexibase

41071286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(3S)-3-methylmorpholin-4-yl]sulfonylpyrimidin-2-yl]hydrazine [5-[(3S)-3-methylmorpholin-4-yl]…

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)	-0.79	-0.12	-10.14	3	8	0	110	273.318	3	↓ MOL2 SDF SMILES Flexibase

41071288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonylpyrimidin-2-yl]hydrazine [5-[(2R,5R)-2,5-dimethylmorpholi…

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)	-0.43	0.73	-10.35	3	8	0	110	287.345	3	↓ MOL2 SDF SMILES Flexibase

41071289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2S,5R)-2,5-dimethylmorpholin-4-yl]sulfonylpyrimidin-2-yl]hydrazine [5-[(2S,5R)-2,5-dimethylmorpholi…

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)	-0.43	0.63	-9.89	3	8	0	110	287.345	3	↓ MOL2 SDF SMILES Flexibase

41071298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2R)-2-ethylmorpholin-4-yl]sulfonylpyrimidin-2-yl]hydrazine [5-[(2R)-2-ethylmorpholin-4-yl]s…

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)	-0.25	0.87	-10.79	3	8	0	110	287.345	4	↓ MOL2 SDF SMILES Flexibase

41071299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2S)-2-ethylmorpholin-4-yl]sulfonylpyrimidin-2-yl]hydrazine [5-[(2S)-2-ethylmorpholin-4-yl]s…

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)	-0.25	0.92	-10.71	3	8	0	110	287.345	4	↓ MOL2 SDF SMILES Flexibase

41071326

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(2,2-dimethylmorpholin-4-yl)sulfonylpyrimidin-2-yl]hydrazine [5-(2,2-dimethylmorpholin-4-yl)s…

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)	-0.31	0.77	-10.37	3	8	0	110	287.345	3	↓ MOL2 SDF SMILES Flexibase

41071329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(3R)-3-ethylmorpholin-4-yl]sulfonylpyrimidin-2-yl]hydrazine [5-[(3R)-3-ethylmorpholin-4-yl]s…

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)	-0.25	0.31	-9.94	3	8	0	110	287.345	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 13317
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 = 13317 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=13317&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": "13317"        

    });
</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