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

32071263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2R)-2-ethylhexyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (2R)-N-[(2R)-2-ethylhexyl]-2-phe…

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)	3.20	7.91	-9.34	1	6	0	73	315.421	9	↓ MOL2 SDF SMILES Flexibase

32071267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2S)-2-ethylhexyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (2R)-N-[(2S)-2-ethylhexyl]-2-phe…

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)	3.20	7.89	-9.18	1	6	0	73	315.421	9	↓ MOL2 SDF SMILES Flexibase

20361753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic 2-[1-[(4-methoxyphenyl)methyl]te…

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)	1.13	4.67	-44.65	0	7	-1	93	279.301	6	↓ MOL2 SDF SMILES Flexibase

53635693

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,3-dimethylbutyl)-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-acetamide N-(3,3-dimethylbutyl)-2-[1-[(4-m…

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)	2.97	6.44	-11.73	1	7	0	82	363.487	9	↓ MOL2 SDF SMILES Flexibase

62494509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]acetic 2-[1-[(4-methoxyphenyl)methyl]te…

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)	0.50	4.57	-44.81	0	7	-1	93	247.234	5	↓ MOL2 SDF SMILES Flexibase

54418822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-ethane-1,2-diamine N-[(1-benzyltetrazol-5-yl)methyl…

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)	-0.37	1.8	-59.31	3	6	1	74	247.326	6	↓ MOL2 SDF SMILES Flexibase

54743932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(4-chlorophenyl)methyl]tetrazole 5-(chloromethyl)-1-[(4-chlorophe…

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)	2.27	5.91	-11.81	0	4	0	44	243.097	3	↓ MOL2 SDF SMILES Flexibase

54743950

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]tetrazole 5-(chloromethyl)-1-[[3-(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)	2.46	6.38	-13.57	0	4	0	44	276.649	4	↓ MOL2 SDF SMILES Flexibase

54743952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(4-methoxyphenyl)methyl]tetrazole 5-(chloromethyl)-1-[(4-methoxyph…

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)	1.65	4.69	-12.76	0	5	0	53	238.678	4	↓ MOL2 SDF SMILES Flexibase

54743954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(2-chlorophenyl)methyl]tetrazole 5-(chloromethyl)-1-[(2-chlorophe…

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)	2.22	5.98	-12.51	0	4	0	44	243.097	3	↓ MOL2 SDF SMILES Flexibase

54743963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(2-methoxyphenyl)methyl]tetrazole 5-(chloromethyl)-1-[(2-methoxyph…

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	4.93	-11.95	0	5	0	53	238.678	4	↓ MOL2 SDF SMILES Flexibase

54743974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1S)-1-(2,4-dichlorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-(2,4-…

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	7.13	-7.79	0	4	0	44	291.569	3	↓ MOL2 SDF SMILES Flexibase

54743975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1R)-1-(2,4-dichlorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-(2,4-…

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	7.13	-6.75	0	4	0	44	291.569	3	↓ MOL2 SDF SMILES Flexibase

54743978

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1S)-1-phenylethyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-pheny…

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)	1.96	6.2	-10.64	0	4	0	44	222.679	3	↓ MOL2 SDF SMILES Flexibase

54743979

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1R)-1-phenylethyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-pheny…

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)	1.96	6.2	-10.65	0	4	0	44	222.679	3	↓ MOL2 SDF SMILES Flexibase

54743982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(2-fluorophenyl)methyl]tetrazole 5-(chloromethyl)-1-[(2-fluorophe…

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)	1.71	5.6	-13.99	0	4	0	44	226.642	3	↓ MOL2 SDF SMILES Flexibase

54743983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-(p-tolylmethyl)tetrazole 5-(chloromethyl)-1-(p-tolylmethy…

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	6.07	-10.95	0	4	0	44	222.679	3	↓ MOL2 SDF SMILES Flexibase

54743994

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(4-fluorophenyl)methyl]tetrazole 5-(chloromethyl)-1-[(4-fluorophe…

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)	1.76	5.46	-12.48	0	4	0	44	226.642	3	↓ MOL2 SDF SMILES Flexibase

54744004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-bromophenyl)methyl]-5-(chloromethyl)tetrazole 1-[(4-bromophenyl)methyl]-5-(chl…

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	6.02	-11.78	0	4	0	44	287.548	3	↓ MOL2 SDF SMILES Flexibase

54744006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(3-fluorophenyl)methyl]tetrazole 5-(chloromethyl)-1-[(3-fluorophe…

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	5.46	-13.11	0	4	0	44	226.642	3	↓ MOL2 SDF SMILES Flexibase

54744015

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]tetrazole 5-(chloromethyl)-1-[(3,4-dimetho…

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)	1.24	4.59	-15.53	0	6	0	62	268.704	5	↓ MOL2 SDF SMILES Flexibase

54744019

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(4-nitrophenyl)methyl]tetrazole 5-(chloromethyl)-1-[(4-nitrophen…

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)	1.55	6.11	-16.9	0	7	0	89	253.649	4	↓ MOL2 SDF SMILES Flexibase

54744020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-(o-tolylmethyl)tetrazole 5-(chloromethyl)-1-(o-tolylmethy…

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)	1.99	6.12	-9.88	0	4	0	44	222.679	3	↓ MOL2 SDF SMILES Flexibase

54744022

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-(m-tolylmethyl)tetrazole 5-(chloromethyl)-1-(m-tolylmethy…

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)	2.02	6.06	-10.9	0	4	0	44	222.679	3	↓ MOL2 SDF SMILES Flexibase

54744025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1S)-1-phenylpropyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-pheny…

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)	2.46	6.85	-10.18	0	4	0	44	236.706	4	↓ MOL2 SDF SMILES Flexibase

54744026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1R)-1-phenylpropyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-pheny…

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)	2.46	7.11	-10.39	0	4	0	44	236.706	4	↓ MOL2 SDF SMILES Flexibase

54744037

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(2,4-difluorophenyl)methyl]tetrazole 5-(chloromethyl)-1-[(2,4-difluor…

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)	1.85	5.59	-14.37	0	4	0	44	244.632	3	↓ MOL2 SDF SMILES Flexibase

54744046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(3-chlorophenyl)methyl]tetrazole 5-(chloromethyl)-1-[(3-chlorophe…

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)	2.25	5.9	-12.26	0	4	0	44	243.097	3	↓ MOL2 SDF SMILES Flexibase

54744047

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(3-nitrophenyl)methyl]tetrazole 5-(chloromethyl)-1-[(3-nitrophen…

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	6.11	-18.23	0	7	0	89	253.649	4	↓ MOL2 SDF SMILES Flexibase

54744048

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-chloro-4-fluoro-phenyl)methyl]-5-(chloromethyl)tetrazole 1-[(3-chloro-4-fluoro-phenyl)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)	2.36	5.95	-14.08	0	4	0	44	261.087	3	↓ MOL2 SDF SMILES Flexibase

54744065

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(3-methoxyphenyl)methyl]tetrazole 5-(chloromethyl)-1-[(3-methoxyph…

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)	1.63	4.69	-13.16	0	5	0	53	238.678	4	↓ MOL2 SDF SMILES Flexibase

54744085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(3-bromophenyl)ethyl]-5-(chloromethyl)tetrazole 1-[(1S)-1-(3-bromophenyl)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)	2.74	6.81	-9.91	0	4	0	44	301.575	3	↓ MOL2 SDF SMILES Flexibase

54744086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(3-bromophenyl)ethyl]-5-(chloromethyl)tetrazole 1-[(1R)-1-(3-bromophenyl)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)	2.74	6.82	-9.48	0	4	0	44	301.575	3	↓ MOL2 SDF SMILES Flexibase

54744088

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1S)-1-(2-fluorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-(2-fl…

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	6.23	-8.73	0	4	0	44	240.669	3	↓ MOL2 SDF SMILES Flexibase

54744089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1R)-1-(2-fluorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-(2-fl…

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	6.24	-7.87	0	4	0	44	240.669	3	↓ MOL2 SDF SMILES Flexibase

54744101

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-(4-fl…

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	6.27	-11.87	0	4	0	44	240.669	3	↓ MOL2 SDF SMILES Flexibase

54744102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1R)-1-(4-fluorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-(4-fl…

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	6.27	-12.01	0	4	0	44	240.669	3	↓ MOL2 SDF SMILES Flexibase

54744106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(3,4-difluorophenyl)methyl]tetrazole 5-(chloromethyl)-1-[(3,4-difluor…

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)	1.85	5.51	-15.16	0	4	0	44	244.632	3	↓ MOL2 SDF SMILES Flexibase

54744117

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-(3-fl…

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)	2.10	6.27	-10.51	0	4	0	44	240.669	3	↓ MOL2 SDF SMILES Flexibase

54744118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1R)-1-(3-fluorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-(3-fl…

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)	2.10	6.27	-10.05	0	4	0	44	240.669	3	↓ MOL2 SDF SMILES Flexibase

54744120

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1S)-1-(4-chlorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-(4-ch…

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	6.72	-11.23	0	4	0	44	257.124	3	↓ MOL2 SDF SMILES Flexibase

54744121

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1R)-1-(4-chlorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-(4-ch…

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	6.72	-11.33	0	4	0	44	257.124	3	↓ MOL2 SDF SMILES Flexibase

54744127

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1S)-1-(3-chlorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-(3-ch…

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)	2.61	6.71	-10.03	0	4	0	44	257.124	3	↓ MOL2 SDF SMILES Flexibase

54744128

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1R)-1-(3-chlorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-(3-ch…

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)	2.61	6.71	-9.6	0	4	0	44	257.124	3	↓ MOL2 SDF SMILES Flexibase

54744129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-bromophenyl)methyl]-5-(chloromethyl)tetrazole 1-[(2-bromophenyl)methyl]-5-(chl…

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)	2.36	6.05	-12.3	0	4	0	44	287.548	3	↓ MOL2 SDF SMILES Flexibase

54744130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1S)-1-(2-chlorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-(2-ch…

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)	2.59	6.62	-8.19	0	4	0	44	257.124	3	↓ MOL2 SDF SMILES Flexibase

54744131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1R)-1-(2-chlorophenyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-(2-ch…

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)	2.59	6.62	-7.28	0	4	0	44	257.124	3	↓ MOL2 SDF SMILES Flexibase

54744133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(2-nitrophenyl)methyl]tetrazole 5-(chloromethyl)-1-[(2-nitrophen…

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	6.08	-19.47	0	7	0	89	253.649	4	↓ MOL2 SDF SMILES Flexibase

54744134

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(4-bromophenyl)ethyl]-5-(chloromethyl)tetrazole 1-[(1S)-1-(4-bromophenyl)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)	2.77	6.82	-11.19	0	4	0	44	301.575	3	↓ MOL2 SDF SMILES Flexibase

54744135

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(4-bromophenyl)ethyl]-5-(chloromethyl)tetrazole 1-[(1R)-1-(4-bromophenyl)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)	2.77	6.83	-11.32	0	4	0	44	301.575	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 12292
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 = 12292 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12292&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": "12292"        

    });
</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