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

20614645

Analogs

36615513

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)	1.60	5.27	-57.32	0	7	-1	82	379.799	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.60	7.54	-73.36	1	7	0	83	380.807	4	↓ MOL2 SDF SMILES Flexibase

20614647

Analogs

36615508
36615514

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)	2.11	5.52	-56.86	0	7	-1	82	396.254	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.11	7.82	-72.26	1	7	0	83	397.262	4	↓ MOL2 SDF SMILES Flexibase

20614666

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)	1.73	5.89	-58.59	0	7	-1	82	395.361	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.73	8.16	-88.32	1	7	0	83	396.369	5	↓ MOL2 SDF SMILES Flexibase

20614693

Analogs

36615508
36615511
36615513
36615517
36615643

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)	0.85	4.89	-57.41	0	7	-1	82	327.364	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.85	7.16	-81.95	1	7	0	83	328.372	4	↓ MOL2 SDF SMILES Flexibase

20615024

Analogs

36615508

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)	2.14	5.96	-55.52	0	7	-1	82	396.254	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.14	8.24	-67.47	1	7	0	83	397.262	4	↓ MOL2 SDF SMILES Flexibase

20615025

Analogs

36615508

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)	1.53	5.41	-58.08	0	7	-1	82	361.809	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.53	7.68	-87.13	1	7	0	83	362.817	4	↓ MOL2 SDF SMILES Flexibase

20615038

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)	1.62	5.52	-55.8	0	7	-1	82	379.799	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.62	7.8	-68.18	1	7	0	83	380.807	4	↓ MOL2 SDF SMILES Flexibase

20615046

Analogs

36615508

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)	1.51	5.21	-56.75	0	7	-1	82	361.809	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.51	7.54	-76.44	1	7	0	83	362.817	4	↓ MOL2 SDF SMILES Flexibase

20615047

Analogs

36615511
36615513

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)	1.28	5.4	-59.19	0	7	-1	82	341.391	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.28	7.72	-76.53	1	7	0	83	342.399	4	↓ MOL2 SDF SMILES Flexibase

20615048

Analogs

36615513

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)	1.02	4.95	-58.76	0	7	-1	82	345.354	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.02	7.23	-88.31	1	7	0	83	346.362	4	↓ MOL2 SDF SMILES Flexibase

65492286

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)	1.33	6.33	-12.91	0	6	0	65	323.4	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.33	8.56	-61.92	1	6	1	66	324.408	3	↓ MOL2 SDF SMILES Flexibase

40770632

Analogs

40770752

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)	1.95	6.79	-8.94	0	5	0	41	312.417	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.95	9.01	-48.88	1	5	1	43	313.425	4	↓ MOL2 SDF SMILES Flexibase

40770750

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	7.81	-9.04	0	5	0	41	326.444	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.35	9.68	-48.21	1	5	1	43	327.452	4	↓ MOL2 SDF SMILES Flexibase

40770752

Analogs

40770632

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)	2.38	7.46	-8.99	0	5	0	41	326.444	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.38	9.68	-49.01	1	5	1	43	327.452	4	↓ MOL2 SDF SMILES Flexibase

40770754

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	7.47	-8.96	0	5	0	41	326.444	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.40	9.69	-48.88	1	5	1	43	327.452	4	↓ MOL2 SDF SMILES Flexibase

40770756

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)	2.07	6.87	-9.38	0	5	0	41	330.407	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.07	9.08	-45.65	1	5	1	43	331.415	4	↓ MOL2 SDF SMILES Flexibase

40770758

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)	2.09	6.86	-9.83	0	5	0	41	330.407	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.09	9.08	-52.98	1	5	1	43	331.415	4	↓ MOL2 SDF SMILES Flexibase

40770760

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)	2.12	6.86	-10.18	0	5	0	41	330.407	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.12	9.08	-54.98	1	5	1	43	331.415	4	↓ MOL2 SDF SMILES Flexibase

40770762

Analogs

34830867

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)	2.58	7.27	-8.63	0	5	0	41	346.862	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.58	9.49	-44.21	1	5	1	43	347.87	4	↓ MOL2 SDF SMILES Flexibase

40770764

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)	2.63	7.31	-9.48	0	5	0	41	346.862	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.63	9.53	-53.94	1	5	1	43	347.87	4	↓ MOL2 SDF SMILES Flexibase

40770998

Analogs

40771136

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)	2.56	7.47	-8.77	0	5	0	41	346.862	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.56	9.69	-47.94	1	5	1	43	347.87	4	↓ MOL2 SDF SMILES Flexibase

40771134

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)	2.96	8.09	-8.85	0	5	0	41	360.889	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.96	10.33	-47.56	1	5	1	43	361.897	4	↓ MOL2 SDF SMILES Flexibase

40771136

Analogs

40770998

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)	2.98	8.14	-8.79	0	5	0	41	360.889	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.98	10.37	-48	1	5	1	43	361.897	4	↓ MOL2 SDF SMILES Flexibase

40771138

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)	3.01	8.15	-8.78	0	5	0	41	360.889	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.01	10.37	-47.96	1	5	1	43	361.897	4	↓ MOL2 SDF SMILES Flexibase

40771140

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)	2.67	7.37	-10.69	0	5	0	41	364.852	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.67	9.59	-46.99	1	5	1	43	365.86	4	↓ MOL2 SDF SMILES Flexibase

40771142

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)	2.70	7.48	-10.39	0	5	0	41	364.852	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.70	9.71	-56.35	1	5	1	43	365.86	4	↓ MOL2 SDF SMILES Flexibase

40771144

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)	2.72	7.53	-9.94	0	5	0	41	364.852	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.72	9.76	-53.97	1	5	1	43	365.86	4	↓ MOL2 SDF SMILES Flexibase

40771146

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)	3.19	7.95	-8.45	0	5	0	41	381.307	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.19	10.22	-42.79	1	5	1	43	382.315	4	↓ MOL2 SDF SMILES Flexibase

40771148

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)	3.24	7.99	-9.24	0	5	0	41	381.307	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.24	10.21	-52.96	1	5	1	43	382.315	4	↓ MOL2 SDF SMILES Flexibase

49377889

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)	2.13	5.61	-10.72	0	7	0	60	372.469	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.13	7.85	-44.59	1	7	1	61	373.477	6	↓ MOL2 SDF SMILES Flexibase

67975534

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)	2.60	6.2	-9.12	1	5	0	52	330.407	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.60	6.69	-10.04	1	5	0	52	330.407	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.60	8.41	-51.7	2	5	1	53	331.415	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 73932
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 = 73932 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=73932&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": "73932"        

    });
</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