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

20120651

Analogs

Draw Identity 99% 90% 80% 70%

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	4.56	-34.93	2	3	1	29	227.372	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.98	6.39	-111.38	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

20120652

Analogs

Draw Identity 99% 90% 80% 70%

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	4.33	-35.23	2	3	1	29	227.372	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.98	6.21	-111.61	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

53343681

Analogs

Draw Identity 99% 90% 80% 70%

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)	1.90	4.09	-39.06	2	3	1	29	227.372	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.90	6.36	-117.47	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

53343682

Analogs

Draw Identity 99% 90% 80% 70%

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)	1.90	4.38	-39.07	2	3	1	29	227.372	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.90	6.31	-116.74	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

53343683

Analogs

Draw Identity 99% 90% 80% 70%

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)	1.90	4.38	-38.99	2	3	1	29	227.372	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.90	6.33	-116.75	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

53343964

Analogs

Draw Identity 99% 90% 80% 70%

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)	1.54	3.34	-38.74	2	3	1	29	213.345	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.54	5.62	-115.94	3	3	2	30	214.353	5	↓ MOL2 SDF SMILES Flexibase

53343965

Analogs

Draw Identity 99% 90% 80% 70%

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)	1.54	3.33	-38.7	2	3	1	29	213.345	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.54	5.62	-115.86	3	3	2	30	214.353	5	↓ MOL2 SDF SMILES Flexibase

53381812

Analogs

Draw Identity 99% 90% 80% 70%

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)	1.50	3.3	-38.31	2	3	1	29	213.345	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.50	5.49	-112.17	3	3	2	30	214.353	5	↓ MOL2 SDF SMILES Flexibase

53381815

Analogs

Draw Identity 99% 90% 80% 70%

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)	1.50	3.3	-38.27	2	3	1	29	213.345	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.50	5.49	-112.25	3	3	2	30	214.353	5	↓ MOL2 SDF SMILES Flexibase

53382391

Analogs

Draw Identity 99% 90% 80% 70%

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)	1.87	3.78	-38.84	2	3	1	29	227.372	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.87	5.95	-115.39	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

53382393

Analogs

Draw Identity 99% 90% 80% 70%

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)	1.87	3.94	-39.02	2	3	1	29	227.372	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.87	6.14	-114.11	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

53382640

Analogs

Draw Identity 99% 90% 80% 70%

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)	2.04	4.28	-38.27	2	3	1	29	227.372	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.04	6.54	-116.5	3	3	2	30	228.38	6	↓ MOL2 SDF SMILES Flexibase

53382642

Analogs

Draw Identity 99% 90% 80% 70%

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)	2.04	4.18	-38.58	2	3	1	29	227.372	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.04	6.45	-116.98	3	3	2	30	228.38	6	↓ MOL2 SDF SMILES Flexibase

53384933

Analogs

Draw Identity 99% 90% 80% 70%

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	4.27	-38.95	2	3	1	29	227.372	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.98	6.21	-116.71	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

53384935

Analogs

Draw Identity 99% 90% 80% 70%

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	4.36	-38.63	2	3	1	29	227.372	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.98	6.32	-116.21	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

53385326

Analogs

Draw Identity 99% 90% 80% 70%

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)	2.04	3.85	-38.94	2	3	1	29	227.372	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.04	6	-114.68	3	3	2	30	228.38	6	↓ MOL2 SDF SMILES Flexibase

53385327

Analogs

Draw Identity 99% 90% 80% 70%

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)	2.04	3.86	-38.84	2	3	1	29	227.372	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.04	6.01	-114.65	3	3	2	30	228.38	6	↓ MOL2 SDF SMILES Flexibase

53435324

Analogs

Draw Identity 99% 90% 80% 70%

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)	2.35	4.99	-39.26	2	3	1	29	241.399	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.35	6.93	-118.11	3	3	2	30	242.407	5	↓ MOL2 SDF SMILES Flexibase

53435328

Analogs

Draw Identity 99% 90% 80% 70%

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)	2.35	4.99	-39.26	2	3	1	29	241.399	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.35	6.95	-118.13	3	3	2	30	242.407	5	↓ MOL2 SDF SMILES Flexibase

53442177

Analogs

Draw Identity 99% 90% 80% 70%

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)	2.40	4.87	-39.31	2	3	1	29	241.399	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.40	6.71	-115.35	3	3	2	30	242.407	6	↓ MOL2 SDF SMILES Flexibase

53442180

Analogs

Draw Identity 99% 90% 80% 70%

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)	2.40	4.61	-39.24	2	3	1	29	241.399	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.40	6.76	-116	3	3	2	30	242.407	6	↓ MOL2 SDF SMILES Flexibase

53442184

Analogs

Draw Identity 99% 90% 80% 70%

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)	2.40	4.59	-39.23	2	3	1	29	241.399	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.40	6.75	-116.1	3	3	2	30	242.407	6	↓ MOL2 SDF SMILES Flexibase

53442188

Analogs

Draw Identity 99% 90% 80% 70%

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)	2.40	4.99	-38.99	2	3	1	29	241.399	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.40	6.83	-114.95	3	3	2	30	242.407	6	↓ MOL2 SDF SMILES Flexibase

53444659

Analogs

Draw Identity 99% 90% 80% 70%

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	3.57	-38.78	2	3	1	29	227.372	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.98	5.67	-112.33	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

53444662

Analogs

Draw Identity 99% 90% 80% 70%

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	3.67	-38.38	2	3	1	29	227.372	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.98	5.77	-111.83	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

41681590

Analogs

Draw Identity 99% 90% 80% 70%

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)	1.67	4.68	-40.95	2	3	1	29	227.372	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.67	6.63	-119.29	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

41681591

Analogs

Draw Identity 99% 90% 80% 70%

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)	1.67	4.68	-41.01	2	3	1	29	227.372	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.67	6.64	-119.27	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

42452133

Analogs

52476217
52570737
52570738
52570739
52570740

Draw Identity 99% 90% 80% 70%

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	4.56	-41.03	2	3	1	29	227.372	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.72	6.39	-116.69	3	3	2	30	228.38	6	↓ MOL2 SDF SMILES Flexibase

42452135

Analogs

52476217
52570737
52570738
52570739
52570740

Draw Identity 99% 90% 80% 70%

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	4.29	-40.92	2	3	1	29	227.372	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.72	6.46	-117.27	3	3	2	30	228.38	6	↓ MOL2 SDF SMILES Flexibase

42452137

Analogs

52476217
52570737
52570738
52570739
52570740

Draw Identity 99% 90% 80% 70%

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	4.28	-40.93	2	3	1	29	227.372	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.72	6.44	-117.3	3	3	2	30	228.38	6	↓ MOL2 SDF SMILES Flexibase

42452139

Analogs

52476217
52570737
52570738
52570739
52570740

Draw Identity 99% 90% 80% 70%

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	4.57	-41.02	2	3	1	29	227.372	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.72	6.42	-116.67	3	3	2	30	228.38	6	↓ MOL2 SDF SMILES Flexibase

42463184

Analogs

52546015
52546016
52546043
52546044
52546047

Draw Identity 99% 90% 80% 70%

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)	1.30	3.27	-40.46	2	3	1	29	213.345	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.30	5.37	-113.62	3	3	2	30	214.353	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 23311
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 = 23311 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=23311&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": "23311"        

    });
</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