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

39892694

Analogs

4820798

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(4,6-dimethylbenzofuran-3-yl)acetyl]-4-methyl-benzohydrazide N'-[2-(4,6-dimethylbenzofuran-3-…

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)	3.52	8.1	-14.03	2	5	0	71	336.391	4	↓ MOL2 SDF SMILES Flexibase

39892695

Analogs

4820798

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N'-[2-(4,6-dimethylbenzofuran-3-yl)acetyl]benzohydrazide 4-chloro-N'-[2-(4,6-dimethylbenz…

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)	3.75	7.96	-13.28	2	5	0	71	356.809	4	↓ MOL2 SDF SMILES Flexibase

39892696

Analogs

6053761
4820798

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N'-[2-(4,6-dimethylbenzofuran-3-yl)acetyl]benzohydrazide 4-bromo-N'-[2-(4,6-dimethylbenzo…

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)	3.88	8.06	-13.24	2	5	0	71	401.26	4	↓ MOL2 SDF SMILES Flexibase

39892697

Analogs

6690968

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(4,6-dimethylbenzofuran-3-yl)acetyl]-2-nitro-benzohydrazide N'-[2-(4,6-dimethylbenzofuran-3-…

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	8.8	-21.83	2	8	0	117	367.361	5	↓ MOL2 SDF SMILES Flexibase

39892698

Analogs

4820798

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(4,6-dimethylbenzofuran-3-yl)acetyl]-4-nitro-benzohydrazide N'-[2-(4,6-dimethylbenzofuran-3-…

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	8.15	-16.13	2	8	0	117	367.361	5	↓ MOL2 SDF SMILES Flexibase

39892699

Analogs

4820798

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N'-[2-(4,6-dimethylbenzofuran-3-yl)acetyl]benzohydrazide 2-chloro-N'-[2-(4,6-dimethylbenz…

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)	3.70	7.95	-15.12	2	5	0	71	356.809	4	↓ MOL2 SDF SMILES Flexibase

39892700

Analogs

4820798

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N'-[2-(4,6-dimethylbenzofuran-3-yl)acetyl]benzohydrazide 2-bromo-N'-[2-(4,6-dimethylbenzo…

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)	3.83	8.06	-14.81	2	5	0	71	401.26	4	↓ MOL2 SDF SMILES Flexibase

39892701

Analogs

7976127
17525981

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(4,6-dimethylbenzofuran-3-yl)acetyl]-2-methoxy-benzohydrazide N'-[2-(4,6-dimethylbenzofuran-3-…

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	7.98	-16.86	2	6	0	81	352.39	5	↓ MOL2 SDF SMILES Flexibase

39892702

Analogs

4820798

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N'-[2-(4,6-dimethylbenzofuran-3-yl)acetyl]benzohydrazide 3-chloro-N'-[2-(4,6-dimethylbenz…

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)	3.72	7.95	-14.45	2	5	0	71	356.809	4	↓ MOL2 SDF SMILES Flexibase

39892703

Analogs

4820798

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N'-[2-(4,6-dimethylbenzofuran-3-yl)acetyl]benzohydrazide 2,4-dichloro-N'-[2-(4,6-dimethyl…

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)	4.35	8.46	-13.69	2	5	0	71	391.254	4	↓ MOL2 SDF SMILES Flexibase

39892704

Analogs

8327676
4820798

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(4,6-dimethylbenzofuran-3-yl)acetyl]-4-methoxy-benzohydrazide N'-[2-(4,6-dimethylbenzofuran-3-…

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)	3.13	6.76	-14.64	2	6	0	81	352.39	5	↓ MOL2 SDF SMILES Flexibase

39892836

Analogs

3456467

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-chloro-6-methyl-benzofuran-3-yl)acetyl]benzohydrazide N'-[2-(5-chloro-6-methyl-benzofu…

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	7.47	-13.59	2	5	0	71	342.782	4	↓ MOL2 SDF SMILES Flexibase

39892837

Analogs

14622417
3456467

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-chloro-6-methyl-benzofuran-3-yl)acetyl]-4-methyl-benzohydrazide N'-[2-(5-chloro-6-methyl-benzofu…

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)	3.75	8.15	-13.43	2	5	0	71	356.809	4	↓ MOL2 SDF SMILES Flexibase

39892838

Analogs

3456467

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N'-[2-(5-chloro-6-methyl-benzofuran-3-yl)acetyl]benzohydrazide 4-chloro-N'-[2-(5-chloro-6-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)	3.98	7.99	-12.72	2	5	0	71	377.227	4	↓ MOL2 SDF SMILES Flexibase

39892839

Analogs

6053761

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N'-[2-(5-chloro-6-methyl-benzofuran-3-yl)acetyl]benzohydrazide 4-bromo-N'-[2-(5-chloro-6-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)	4.11	8.1	-12.6	2	5	0	71	421.678	4	↓ MOL2 SDF SMILES Flexibase

39892840

Analogs

5558063

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-chloro-6-methyl-benzofuran-3-yl)acetyl]-4-fluoro-benzohydrazide N'-[2-(5-chloro-6-methyl-benzofu…

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)	3.46	7.54	-13.06	2	5	0	71	360.772	4	↓ MOL2 SDF SMILES Flexibase

39892841

Analogs

6690968

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-chloro-6-methyl-benzofuran-3-yl)acetyl]-2-nitro-benzohydrazide N'-[2-(5-chloro-6-methyl-benzofu…

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)	3.21	8.9	-20.8	2	8	0	117	387.779	5	↓ MOL2 SDF SMILES Flexibase

39892842

Analogs

4867008
6690968

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-chloro-6-methyl-benzofuran-3-yl)acetyl]-4-nitro-benzohydrazide N'-[2-(5-chloro-6-methyl-benzofu…

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)	3.26	8.19	-15.47	2	8	0	117	387.779	5	↓ MOL2 SDF SMILES Flexibase

39892843

Analogs

9951194
5558063

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-chloro-6-methyl-benzofuran-3-yl)acetyl]-2-fluoro-benzohydrazide N'-[2-(5-chloro-6-methyl-benzofu…

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)	3.42	7.55	-16.4	2	5	0	71	360.772	4	↓ MOL2 SDF SMILES Flexibase

39892844

Analogs

3456467

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N'-[2-(5-chloro-6-methyl-benzofuran-3-yl)acetyl]benzohydrazide 2-chloro-N'-[2-(5-chloro-6-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)	3.93	7.99	-14.57	2	5	0	71	377.227	4	↓ MOL2 SDF SMILES Flexibase

39892845

Analogs

6053761
3456467

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N'-[2-(5-chloro-6-methyl-benzofuran-3-yl)acetyl]benzohydrazide 2-bromo-N'-[2-(5-chloro-6-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)	4.06	8.1	-14.25	2	5	0	71	421.678	4	↓ MOL2 SDF SMILES Flexibase

39892846

Analogs

12803074
7976127

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-chloro-6-methyl-benzofuran-3-yl)acetyl]-2-methoxy-benzohydrazide N'-[2-(5-chloro-6-methyl-benzofu…

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)	3.86	8.02	-16.22	2	6	0	81	372.808	5	↓ MOL2 SDF SMILES Flexibase

39892847

Analogs

3456467

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N'-[2-(5-chloro-6-methyl-benzofuran-3-yl)acetyl]benzohydrazide 3-chloro-N'-[2-(5-chloro-6-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)	3.95	7.98	-13.78	2	5	0	71	377.227	4	↓ MOL2 SDF SMILES Flexibase

39892848

Analogs

3456467

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N'-[2-(5-chloro-6-methyl-benzofuran-3-yl)acetyl]benzohydrazide 2,4-dichloro-N'-[2-(5-chloro-6-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)	4.58	8.5	-13.09	2	5	0	71	411.672	4	↓ MOL2 SDF SMILES Flexibase

39892849

Analogs

8327676
7781582
6836521

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-chloro-6-methyl-benzofuran-3-yl)acetyl]-4-methoxy-benzohydrazide N'-[2-(5-chloro-6-methyl-benzofu…

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)	3.36	6.8	-14.03	2	6	0	81	372.808	5	↓ MOL2 SDF SMILES Flexibase

39893000

Analogs

4820798

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetyl]benzohydrazide N'-[2-(5-chloro-4,6-dimethyl-ben…

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)	3.68	7.76	-13.56	2	5	0	71	356.809	4	↓ MOL2 SDF SMILES Flexibase

39893001

Analogs

4820798

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetyl]-4-methyl-benzohydrazide N'-[2-(5-chloro-4,6-dimethyl-ben…

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)	4.13	8.43	-13.35	2	5	0	71	370.836	4	↓ MOL2 SDF SMILES Flexibase

39893002

Analogs

4820798

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N'-[2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetyl]benzohydrazide 4-chloro-N'-[2-(5-chloro-4,6-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)	4.35	8.28	-12.72	2	5	0	71	391.254	4	↓ MOL2 SDF SMILES Flexibase

39893003

Analogs

6053761
4820798

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N'-[2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetyl]benzohydrazide 4-bromo-N'-[2-(5-chloro-4,6-dime…

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)	4.49	8.38	-12.67	2	5	0	71	435.705	4	↓ MOL2 SDF SMILES Flexibase

39893004

Analogs

4828637

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetyl]-4-fluoro-benzohydrazide N'-[2-(5-chloro-4,6-dimethyl-ben…

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)	3.84	7.83	-13.07	2	5	0	71	374.799	4	↓ MOL2 SDF SMILES Flexibase

39893005

Analogs

6690968

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetyl]-2-nitro-benzohydrazide N'-[2-(5-chloro-4,6-dimethyl-ben…

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)	3.59	9.18	-20.86	2	8	0	117	401.806	5	↓ MOL2 SDF SMILES Flexibase

39893006

Analogs

4866314
4820798

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetyl]-4-nitro-benzohydrazide N'-[2-(5-chloro-4,6-dimethyl-ben…

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)	3.64	8.47	-15.63	2	8	0	117	401.806	5	↓ MOL2 SDF SMILES Flexibase

39893007

Analogs

9951194
4828637

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetyl]-2-fluoro-benzohydrazide N'-[2-(5-chloro-4,6-dimethyl-ben…

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)	3.79	7.83	-16.36	2	5	0	71	374.799	4	↓ MOL2 SDF SMILES Flexibase

39893008

Analogs

4820798

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N'-[2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetyl]benzohydrazide 2-chloro-N'-[2-(5-chloro-4,6-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)	4.31	8.27	-14.5	2	5	0	71	391.254	4	↓ MOL2 SDF SMILES Flexibase

39893009

Analogs

4820798

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N'-[2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetyl]benzohydrazide 2-bromo-N'-[2-(5-chloro-4,6-dime…

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)	4.44	8.38	-14.25	2	5	0	71	435.705	4	↓ MOL2 SDF SMILES Flexibase

39893010

Analogs

12803074
7976127

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetyl]-2-methoxy-benzohydrazide N'-[2-(5-chloro-4,6-dimethyl-ben…

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)	4.23	8.3	-16.22	2	6	0	81	386.835	5	↓ MOL2 SDF SMILES Flexibase

39893011

Analogs

4820798

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N'-[2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetyl]benzohydrazide 3-chloro-N'-[2-(5-chloro-4,6-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)	4.33	8.27	-13.81	2	5	0	71	391.254	4	↓ MOL2 SDF SMILES Flexibase

39893012

Analogs

4820798

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N'-[2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetyl]benzohydrazide 2,4-dichloro-N'-[2-(5-chloro-4,6…

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)	4.96	8.78	-13.13	2	5	0	71	425.699	4	↓ MOL2 SDF SMILES Flexibase

39893013

Analogs

8327676
4820798

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetyl]-4-methoxy-benzohydrazide N'-[2-(5-chloro-4,6-dimethyl-ben…

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)	3.73	7.08	-14.04	2	6	0	81	386.835	5	↓ MOL2 SDF SMILES Flexibase

39893072

Analogs

6690968

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(6-methylbenzofuran-3-yl)acetyl]-2-nitro-benzohydrazide N'-[2-(6-methylbenzofuran-3-yl)a…

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	8.47	-21.82	2	8	0	117	353.334	5	↓ MOL2 SDF SMILES Flexibase

39893073

Analogs

6690968
3456467

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(6-methylbenzofuran-3-yl)acetyl]-4-nitro-benzohydrazide N'-[2-(6-methylbenzofuran-3-yl)a…

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)	2.65	7.76	-16.17	2	8	0	117	353.334	5	↓ MOL2 SDF SMILES Flexibase

39893074

Analogs

7976127
17525981

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N'-[2-(6-methylbenzofuran-3-yl)acetyl]benzohydrazide 2-methoxy-N'-[2-(6-methylbenzofu…

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)	3.25	7.6	-16.97	2	6	0	81	338.363	5	↓ MOL2 SDF SMILES Flexibase

39893075

Analogs

8327676
6836521

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N'-[2-(6-methylbenzofuran-3-yl)acetyl]benzohydrazide 4-methoxy-N'-[2-(6-methylbenzofu…

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	6.37	-14.77	2	6	0	81	338.363	5	↓ MOL2 SDF SMILES Flexibase

39893169

Analogs

12510470
14622417

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-methylbenzofuran-3-yl)acetyl]benzohydrazide N'-[2-(5-methylbenzofuran-3-yl)a…

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)	2.69	7.06	-14.23	2	5	0	71	308.337	4	↓ MOL2 SDF SMILES Flexibase

39893170

Analogs

12510470
14622417

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N'-[2-(5-methylbenzofuran-3-yl)acetyl]benzohydrazide 4-methyl-N'-[2-(5-methylbenzofur…

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)	3.14	7.72	-14.02	2	5	0	71	322.364	4	↓ MOL2 SDF SMILES Flexibase

39893171

Analogs

12510470
14622417

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N'-[2-(5-methylbenzofuran-3-yl)acetyl]benzohydrazide 4-chloro-N'-[2-(5-methylbenzofur…

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)	3.37	7.58	-13.28	2	5	0	71	342.782	4	↓ MOL2 SDF SMILES Flexibase

39893172

Analogs

6053761
12510470

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N'-[2-(5-methylbenzofuran-3-yl)acetyl]benzohydrazide 4-bromo-N'-[2-(5-methylbenzofura…

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)	3.50	7.68	-13.25	2	5	0	71	387.233	4	↓ MOL2 SDF SMILES Flexibase

39893173

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N'-[2-(5-methylbenzofuran-3-yl)acetyl]benzohydrazide 4-fluoro-N'-[2-(5-methylbenzofur…

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)	2.86	7.12	-13.61	2	5	0	71	326.327	4	↓ MOL2 SDF SMILES Flexibase

39893174

Analogs

6690968

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-methylbenzofuran-3-yl)acetyl]-2-nitro-benzohydrazide N'-[2-(5-methylbenzofuran-3-yl)a…

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	8.48	-21.76	2	8	0	117	353.334	5	↓ MOL2 SDF SMILES Flexibase

39893175

Analogs

22688822
12510470

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(5-methylbenzofuran-3-yl)acetyl]-4-nitro-benzohydrazide N'-[2-(5-methylbenzofuran-3-yl)a…

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)	2.65	7.77	-16.04	2	8	0	117	353.334	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 2832
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 = 2832 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=2832&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": "2832"        

    });
</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