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

52918755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-aminophenyl)ethyl]imidazolidine-2,4-dione 3-[2-(2-aminophenyl)ethyl]imidaz…

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)	0.42	1.84	-9.42	3	5	0	75	219.244	3	↓ MOL2 SDF SMILES Flexibase

52918787

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[2-(2-aminophenyl)ethyl]-5-ethyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[2-(2-aminophenyl)ethyl]-…

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)	1.73	4	-7.54	3	5	0	75	261.325	4	↓ MOL2 SDF SMILES Flexibase

52918789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-(2-aminophenyl)ethyl]-5-ethyl-5-methyl-imidazolidine-2,4-dione (5S)-3-[2-(2-aminophenyl)ethyl]-…

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)	1.73	4.07	-7.53	3	5	0	75	261.325	4	↓ MOL2 SDF SMILES Flexibase

52918791

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-aminophenyl)ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[2-(2-aminophenyl)ethyl]-5,5-d…

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)	1.22	3.22	-7.91	3	5	0	75	247.298	3	↓ MOL2 SDF SMILES Flexibase

52918802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[2-(2-aminophenyl)ethyl]-5-propyl-imidazolidine-2,4-dione (5R)-3-[2-(2-aminophenyl)ethyl]-…

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)	1.84	4.19	-7.82	3	5	0	75	261.325	5	↓ MOL2 SDF SMILES Flexibase

52918803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-(2-aminophenyl)ethyl]-5-propyl-imidazolidine-2,4-dione (5S)-3-[2-(2-aminophenyl)ethyl]-…

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)	1.84	4.19	-7.8	3	5	0	75	261.325	5	↓ MOL2 SDF SMILES Flexibase

52918817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-aminophenyl)ethyl]-1-methyl-imidazolidine-2,4-dione 3-[2-(2-aminophenyl)ethyl]-1-met…

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)	0.66	4.24	-9.67	2	5	0	67	233.271	3	↓ MOL2 SDF SMILES Flexibase

60522764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(2S)-2-[4-(difluoromethoxy)phenyl]-2-hydroxy-ethyl]-5-isobutyl-imidazolidine-2,4-dione (5R)-3-[(2S)-2-[4-(difluorometho…

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)	2.24	3.2	-10.86	2	6	0	79	342.342	7	↓ MOL2 SDF SMILES Flexibase

60522766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-isobutyl-imidazolidine-2,4-dione (5S)-3-[(2S)-2-hydroxy-2-[2-(tri…

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)	2.48	4.28	-9.94	2	5	0	70	344.333	6	↓ MOL2 SDF SMILES Flexibase

69514575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-methyl-5-propyl-imidazolidine-2,4-dione (5R)-3-[(2R)-2-(2-fluorophenyl)-…

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)	1.98	3.79	-10.36	2	5	0	70	294.326	5	↓ MOL2 SDF SMILES Flexibase

69514577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-methyl-5-propyl-imidazolidine-2,4-dione (5S)-3-[(2R)-2-(2-fluorophenyl)-…

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)	1.98	3.87	-10.52	2	5	0	70	294.326	5	↓ MOL2 SDF SMILES Flexibase

69514582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-methyl-5-propyl-imidazolidine-2,4-dione (5R)-3-[(2S)-2-(2-fluorophenyl)-…

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)	1.98	3.72	-9.78	2	5	0	70	294.326	5	↓ MOL2 SDF SMILES Flexibase

69514585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-methyl-5-propyl-imidazolidine-2,4-dione (5S)-3-[(2S)-2-(2-fluorophenyl)-…

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)	1.98	3.79	-9.91	2	5	0	70	294.326	5	↓ MOL2 SDF SMILES Flexibase

69520901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxy-ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2R)-2-(2,5-dichlorophenyl)-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)	1.52	4.15	-9.82	1	5	0	61	303.145	3	↓ MOL2 SDF SMILES Flexibase

69520903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-(2,5-dichlorophenyl)-2-hydroxy-ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2S)-2-(2,5-dichlorophenyl)-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)	1.52	4.08	-9.56	1	5	0	61	303.145	3	↓ MOL2 SDF SMILES Flexibase

69561909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2R)-2-hydroxy-2-[4-(trifluor…

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)	1.20	2.98	-10.36	1	6	0	70	318.251	5	↓ MOL2 SDF SMILES Flexibase

69561911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2S)-2-hydroxy-2-[4-(trifluor…

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)	1.20	2.89	-10.21	1	6	0	70	318.251	5	↓ MOL2 SDF SMILES Flexibase

65565213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-isopropyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2R)-2-(2-fluorophenyl)-…

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	3.43	-10.21	2	5	0	70	294.326	4	↓ MOL2 SDF SMILES Flexibase

65565214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-isopropyl-5-methyl-imidazolidine-2,4-dione (5S)-3-[(2R)-2-(2-fluorophenyl)-…

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	3.77	-10.49	2	5	0	70	294.326	4	↓ MOL2 SDF SMILES Flexibase

65565215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-isopropyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2S)-2-(2-fluorophenyl)-…

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	3.36	-9.63	2	5	0	70	294.326	4	↓ MOL2 SDF SMILES Flexibase

65565216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-isopropyl-5-methyl-imidazolidine-2,4-dione (5S)-3-[(2S)-2-(2-fluorophenyl)-…

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	3.68	-10.19	2	5	0	70	294.326	4	↓ MOL2 SDF SMILES Flexibase

65592686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-(2-chlorophenyl)-2-hydroxy-ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2R)-2-(2-chlorophenyl)-2-hyd…

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)	0.86	3.64	-11.16	1	5	0	61	268.7	3	↓ MOL2 SDF SMILES Flexibase

65592688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-(2-chlorophenyl)-2-hydroxy-ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2S)-2-(2-chlorophenyl)-2-hyd…

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)	0.86	3.57	-10.69	1	5	0	61	268.7	3	↓ MOL2 SDF SMILES Flexibase

69770680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-propyl-imidazolidine-2,4-dione (5R)-3-[(2R)-2-(2-fluorophenyl)-…

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)	1.53	3.22	-10.55	2	5	0	70	280.299	5	↓ MOL2 SDF SMILES Flexibase

69770682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-propyl-imidazolidine-2,4-dione (5S)-3-[(2R)-2-(2-fluorophenyl)-…

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)	1.53	3.22	-10.79	2	5	0	70	280.299	5	↓ MOL2 SDF SMILES Flexibase

69770684

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-propyl-imidazolidine-2,4-dione (5R)-3-[(2S)-2-(2-fluorophenyl)-…

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)	1.53	3.14	-9.92	2	5	0	70	280.299	5	↓ MOL2 SDF SMILES Flexibase

69770685

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-propyl-imidazolidine-2,4-dione (5S)-3-[(2S)-2-(2-fluorophenyl)-…

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)	1.53	3.14	-10.16	2	5	0	70	280.299	5	↓ MOL2 SDF SMILES Flexibase

69892868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-(4-bromophenyl)-2-hydroxy-ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[(2R)-2-(4-bromophenyl)-2-hydr…

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)	1.61	2.79	-8.37	2	5	0	70	327.178	3	↓ MOL2 SDF SMILES Flexibase

69892871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-(4-bromophenyl)-2-hydroxy-ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[(2S)-2-(4-bromophenyl)-2-hydr…

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)	1.61	2.69	-8.31	2	5	0	70	327.178	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 35399
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 = 35399 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=35399&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": "35399"        

    });
</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