ZINC 12

User Information

Not Authenticated — sign in

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

This report ranks vendors by which sells the most compounds in your active cart. Click on Download to download all this information in tab delimited format suitable for reading in a spreadsheet program. Click on the vendor name to go to the vendor information page in ZINC. Click on "N available" to focus on this vendor's compounds only. Click on Send Quote Request to compose an email to the vendor. If the supplier code is clickable, it takes you directly to the vendor page for that compound. Click on the ZINC ID to go to the Molecule detail page. Click on the SMILES to perform find analogs of that compounds in ZINC. Hover over the smiles for the molecular structure.

Overview

Purchasable Compounds: 19 are for sale from 1 different vendors
Not Available Compounds: 0 are not for sale

ccp ligands (Public by grocklin) Default Download Show All

-Catalogs to Purchase

-Available Catalogs

Zylexa Pharma BB — 9 Available Email Quote Request

ZINC ID	Supplier Code	SMILES (Find Similar)	Suppliers	Score
36634	ZP-BB-AL005867	c1ccc(cc1)C(=[NH2+])N	55	Z
156709	ZP-BB-TV001734 ZP-BB-AL003546	c1cc(ccc1C=O)O	59	Z
331902	ZP-BB-AL003110	c1ccc2c(c1)[nH]cn2	46	Z
331945	ZP-BB-AL009108 ZP-BB-AR002148	c1ccc2c(c1)c(ncn2)N	48	Z
333587	ZP-BB-AL005190	c1cc([nH+]c(c1)N)N	51	Z
2040899	ZP-BB-SN001665 ZP-BB-AL007391	c1cc2c(cc[nH]2)nc1	43	Z
4202478	ZP-BB-AR001981 ZP-BB-AL010345	c1ccc2c(c1)c(cc[nH+]2)N	53	Z
5133329	ZP-BB-AL002198	c1ccc(cc1)O	33	Z
8652421	ZP-BB-CD006075 ZP-BB-MP004738 ZP-BB-AL001272 ZP-BB-MP004249	Cc1cnc(s1)N	49	Z

-Non-Unique/Empty Catalogs

-Ignored Catalogs

Compound Availability

Purchasable:

The following compounds are included in the above report:

SMILES (Find Similar)

36634

Select Similar

156374

Select Similar

156390

Select Similar

156709

Select Similar

164683

Select Similar

331902

Select Similar

331945

Select Similar

333587

Select Similar

335002

Select Similar

1661391

Select Similar

1691171

Analogs

25491177
25494514

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

Draw Identity 99% 90% 80% 70%

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)	-0.18	0.97	-6.34	3	4	0	64	124.147	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.18	1.28	-28.49	4	4	1	65	125.155	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.18	-2.45	-27.93	4	4	1	65	125.155	1	↓ MOL2 SDF SMILES Flexibase

More about ZINC01691171

Select Similar

1716645

Analogs

Find On: PubMed — Wikipedia — Google

Vendors

Chemstep
- 40734
NCI Plated 2007
- 128063

Draw Identity 99% 90% 80% 70%

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)	-4.43	1.07	-26.85	3	3	1	50	139.178	2	↓ MOL2 SDF SMILES Flexibase

More about ZINC01716645

Select Similar

2040899

Analogs

Popular Name: 4-Azaindole 4-Azaindole

Find On: PubMed — Wikipedia — Google

Vendors

And 54 More

Draw Identity 99% 90% 80% 70%

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)	1.26	2.7	-8.84	1	2	0	29	118.139	0	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.26	2.97	-28.26	2	2	1	30	119.147	0	↓ MOL2 SDF SMILES Flexibase

More about ZINC02040899

Select Similar

4202478

Analogs

6118850
32198115
34325150
39119818

Find On: PubMed — Wikipedia — Google

Vendors

And 65 More

Draw Identity 99% 90% 80% 70%

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	-27.4	3	2	1	40	145.185	0	↓ MOL2 SDF SMILES Flexibase

More about ZINC04202478

Select Similar

4262675

Analogs

Find On: PubMed — Wikipedia — Google

Vendors

And 18 More

Draw Identity 99% 90% 80% 70%

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	1.63	-10.05	1	3	0	38	154.194	1	↓ MOL2 SDF SMILES Flexibase

More about ZINC04262675

Select Similar

4262678

Analogs

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

Draw Identity 99% 90% 80% 70%

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)	1.06	3.97	-18.29	0	3	0	34	152.178	1	↓ MOL2 SDF SMILES Flexibase

More about ZINC04262678

Select Similar

5133329

Analogs

Popular Name: Phenol Phenol

Find On: PubMed — Wikipedia — Google

Vendors

And 85 More

Draw Identity 99% 90% 80% 70%

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)	1.46	1.63	-3.7	1	1	0	20	94.113	0	↓ MOL2 SDF SMILES Flexibase

More about ZINC05133329

Select Similar

8652421

Analogs

Find On: PubMed — Wikipedia — Google

Vendors

And 56 More

Draw Identity 99% 90% 80% 70%

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)	0.70	1.58	-5.16	2	2	0	39	114.173	0	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.70	1.86	-26.53	3	2	1	40	115.181	0	↓ MOL2 SDF SMILES Flexibase

More about ZINC08652421

Select Similar

15980479

Analogs

330655

Find On: PubMed — Wikipedia — Google

Vendors

And 11 More

Draw Identity 99% 90% 80% 70%

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)	1.26	4.91	-9.56	0	2	0	17	138.195	0	↓ MOL2 SDF SMILES Flexibase

More about ZINC15980479

Select Similar

Not for Sale:

The following compounds are not availabile from any known vendors:

#	ZINC ID	SMILES (Find Similar)	Score