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

59415408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, phenoxy-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, phenoxy-, [1-(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)	2.12	5.94	-14.75	1	5	0	54	289.379	5	↓ MOL2 SDF SMILES Flexibase

14017151

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-methoxyphenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (4-methoxyphenoxy)-…

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)	2.17	5.23	-15.44	1	6	0	63	319.405	6	↓ MOL2 SDF SMILES Flexibase

14017154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-chloro-3-methylphenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (4-chloro-3-methylp…

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)	3.17	7.07	-14.46	1	5	0	54	337.851	5	↓ MOL2 SDF SMILES Flexibase

14017156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-chloro-3,5-dimethylphenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (4-chloro-3,5-dimet…

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)	3.55	7.64	-14.49	1	5	0	54	351.878	5	↓ MOL2 SDF SMILES Flexibase

14017159

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [2-(1-methylethyl)phenoxy]-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, [2-(1-methylethyl)p…

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)	3.11	7.94	-14.47	1	5	0	54	331.46	6	↓ MOL2 SDF SMILES Flexibase

14017161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [2-(1-methylpropyl)phenoxy]-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, [2-(1-methylpropyl)…

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)	3.45	8.59	-14.39	1	5	0	54	345.487	7	↓ MOL2 SDF SMILES Flexibase

14017163

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [2-(1-methylpropyl)phenoxy]-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, [2-(1-methylpropyl)…

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)	3.45	8.59	-14.41	1	5	0	54	345.487	7	↓ MOL2 SDF SMILES Flexibase

14017165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2,4-dimethylphenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (2,4-dimethylphenox…

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)	2.94	7.35	-14.46	1	5	0	54	317.433	5	↓ MOL2 SDF SMILES Flexibase

14017167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [4-(1-methylethyl)phenoxy]-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, [4-(1-methylethyl)p…

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)	3.63	7.9	-14.32	1	5	0	54	331.46	6	↓ MOL2 SDF SMILES Flexibase

14017169

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2,6-dimethylphenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (2,6-dimethylphenox…

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)	2.92	7.34	-13.17	1	5	0	54	317.433	5	↓ MOL2 SDF SMILES Flexibase

14017178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-methylphenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (2-methylphenoxy)-,…

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)	2.52	6.68	-14.5	1	5	0	54	303.406	5	↓ MOL2 SDF SMILES Flexibase

14017181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-methylphenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (4-methylphenoxy)-,…

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	6.64	-14.73	1	5	0	54	303.406	5	↓ MOL2 SDF SMILES Flexibase

14017183

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (3-methylphenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (3-methylphenoxy)-,…

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)	2.54	6.64	-14.92	1	5	0	54	303.406	5	↓ MOL2 SDF SMILES Flexibase

14017200

Analogs

4421410

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-bromo-4-methylphenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (2-bromo-4-methylph…

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)	3.30	7.28	-16.55	1	5	0	54	382.302	5	↓ MOL2 SDF SMILES Flexibase

14017203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromophenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (4-bromophenoxy)-, …

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)	2.93	6.57	-14.17	1	5	0	54	368.275	5	↓ MOL2 SDF SMILES Flexibase

14017206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2,4-dibromophenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (2,4-dibromophenoxy…

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)	3.66	7.21	-15.99	1	5	0	54	447.171	5	↓ MOL2 SDF SMILES Flexibase

14017209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2,4-dibromo-6-methylphenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (2,4-dibromo-6-meth…

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)	4.04	7.98	-12.19	1	5	0	54	461.198	5	↓ MOL2 SDF SMILES Flexibase

14017212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-methoxyphenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (2-methoxyphenoxy)-…

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	5.7	-18.42	1	6	0	63	319.405	6	↓ MOL2 SDF SMILES Flexibase

14017216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromo-3-methylphenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (4-bromo-3-methylph…

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)	3.30	7.16	-14.35	1	5	0	54	382.302	5	↓ MOL2 SDF SMILES Flexibase

14017223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [5-methyl-2-(1-methylethyl)phenoxy]-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, [5-methyl-2-(1-meth…

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)	3.53	8.6	-14.3	1	5	0	54	345.487	6	↓ MOL2 SDF SMILES Flexibase

14017235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-chlorophenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (2-chlorophenoxy)-,…

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)	2.75	6.48	-16.98	1	5	0	54	323.824	5	↓ MOL2 SDF SMILES Flexibase

14017237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-ethylphenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (4-ethylphenoxy)-, …

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)	3.03	7.41	-14.52	1	5	0	54	317.433	6	↓ MOL2 SDF SMILES Flexibase

14017241

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromo-2-methylphenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (4-bromo-2-methylph…

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)	3.30	7.3	-14.02	1	5	0	54	382.302	5	↓ MOL2 SDF SMILES Flexibase

14017243

Analogs

4421410

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-bromo-4-ethylphenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (2-bromo-4-ethylphe…

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)	3.77	8.05	-16.39	1	5	0	54	396.329	6	↓ MOL2 SDF SMILES Flexibase

14017245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromo-2-chlorophenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (4-bromo-2-chloroph…

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)	3.53	7.1	-16.2	1	5	0	54	402.72	5	↓ MOL2 SDF SMILES Flexibase

14017252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [2-bromo-4-(1-methylethyl)phenoxy]-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, [2-bromo-4-(1-methy…

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)	4.37	8.53	-16.14	1	5	0	54	410.356	6	↓ MOL2 SDF SMILES Flexibase

14017255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [2-bromo-4-(1,1-dimethylethyl)phenoxy]-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, [2-bromo-4-(1,1-dim…

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)	4.56	8.9	-16.03	1	5	0	54	424.383	6	↓ MOL2 SDF SMILES Flexibase

14017258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [4-(1-methylpropyl)phenoxy]-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, [4-(1-methylpropyl)…

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)	3.97	8.55	-14.28	1	5	0	54	345.487	7	↓ MOL2 SDF SMILES Flexibase

14017260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [4-(1-methylpropyl)phenoxy]-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, [4-(1-methylpropyl)…

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)	3.97	8.55	-14.28	1	5	0	54	345.487	7	↓ MOL2 SDF SMILES Flexibase

14017263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-bromo-4-chlorophenoxy)-, [1-(1-methylethyl)-4-piperidinylidene]hydrazide acetic acid, (2-bromo-4-chloroph…

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)	3.53	7.1	-16.11	1	5	0	54	402.72	5	↓ MOL2 SDF SMILES Flexibase

54961268

Analogs

Draw Identity 99% 90% 80% 70%

Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

Popular Name:

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)	2.94	7.3	-14.87	1	5	0	54	317.433	5	↓ MOL2 SDF SMILES Flexibase

55072044

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name:

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)	3.40	6.98	-16.34	1	5	0	54	358.269	5	↓ MOL2 SDF SMILES Flexibase

55074113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name:

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)	3.71	6.88	-14.36	1	5	0	54	378.687	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 194949
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 = 194949 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=194949&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": "194949"        

    });
</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