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

36534821

Analogs

36534822
36588820
36588821

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-benzamide N-[(1R)-2-(tert-butylamino)-2-ox…

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)	5.07	12.75	-10.59	1	4	0	49	424.544	5	↓ MOL2 SDF SMILES Flexibase

36534822

Analogs

36588820
36588821
36534821

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-benzamide N-[(1S)-2-(tert-butylamino)-2-ox…

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)	5.07	13.05	-11.57	1	4	0	49	424.544	5	↓ MOL2 SDF SMILES Flexibase

36534825

Analogs

36534826
36588824
36588825

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1R)-2-oxo-1-(9-phenanthryl)-2-(1,1,3,3-tetramethylbutylamino)ethyl]benzamide N-methyl-N-[(1R)-2-oxo-1-(9-phen…

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)	6.67	13.43	-17.49	1	4	0	49	480.652	7	↓ MOL2 SDF SMILES Flexibase

36534826

Analogs

36588824
36588825
36534825

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1S)-2-oxo-1-(9-phenanthryl)-2-(1,1,3,3-tetramethylbutylamino)ethyl]benzamide N-methyl-N-[(1S)-2-oxo-1-(9-phen…

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)	6.67	13.93	-16.76	1	4	0	49	480.652	7	↓ MOL2 SDF SMILES Flexibase

36534827

Analogs

36534828
36588826
36588827

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-benzamide N-[(1R)-2-(butylamino)-2-oxo-1-(…

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)	5.33	12.56	-10.7	1	4	0	49	424.544	7	↓ MOL2 SDF SMILES Flexibase

36534828

Analogs

36588826
36588827
36534827

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-benzamide N-[(1S)-2-(butylamino)-2-oxo-1-(…

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)	5.33	12.75	-13.21	1	4	0	49	424.544	7	↓ MOL2 SDF SMILES Flexibase

36537530

Analogs

36537531
36591658
36591659

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-3-nitro-benzamide N-[(1R)-2-(tert-butylamino)-2-ox…

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)	5.01	13.46	-13.97	1	7	0	95	469.541	6	↓ MOL2 SDF SMILES Flexibase

36537531

Analogs

36591658
36591659
36537530

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-3-nitro-benzamide N-[(1S)-2-(tert-butylamino)-2-ox…

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)	5.01	13.76	-15.87	1	7	0	95	469.541	6	↓ MOL2 SDF SMILES Flexibase

36537534

Analogs

36537535

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-3-nitro-N-[(1R)-2-oxo-1-(9-phenanthryl)-2-(1,1,3,3-tetramethylbutylamino)ethyl]benzamide N-methyl-3-nitro-N-[(1R)-2-oxo-1…

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)	6.61	16.24	-13.53	1	7	0	95	525.649	8	↓ MOL2 SDF SMILES Flexibase

36537535

Analogs

36537534

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-3-nitro-N-[(1S)-2-oxo-1-(9-phenanthryl)-2-(1,1,3,3-tetramethylbutylamino)ethyl]benzamide N-methyl-3-nitro-N-[(1S)-2-oxo-1…

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)	6.61	16.96	-15.43	1	7	0	95	525.649	8	↓ MOL2 SDF SMILES Flexibase

36537536

Analogs

36537537
36591660
36591661

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-3-nitro-benzamide N-[(1R)-2-(butylamino)-2-oxo-1-(…

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)	5.26	13.71	-14.1	1	7	0	95	469.541	8	↓ MOL2 SDF SMILES Flexibase

36537537

Analogs

36591660
36591661
36537536

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-3-nitro-benzamide N-[(1S)-2-(butylamino)-2-oxo-1-(…

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)	5.26	14	-16.13	1	7	0	95	469.541	8	↓ MOL2 SDF SMILES Flexibase

36538764

Analogs

36538765
36592822
36592823

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-2-chloro-N-methyl-benzamide N-[(1R)-2-(tert-butylamino)-2-ox…

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)	5.70	13.07	-11.09	1	4	0	49	458.989	5	↓ MOL2 SDF SMILES Flexibase

36538765

Analogs

36592822
36592823
36538764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-2-chloro-N-methyl-benzamide N-[(1S)-2-(tert-butylamino)-2-ox…

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)	5.70	13.6	-12.84	1	4	0	49	458.989	5	↓ MOL2 SDF SMILES Flexibase

36538768

Analogs

36538769

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-methyl-N-[(1R)-2-oxo-1-(9-phenanthryl)-2-(1,1,3,3-tetramethylbutylamino)ethyl]benzamide 2-chloro-N-methyl-N-[(1R)-2-oxo-…

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)	7.30	13.94	-17.92	1	4	0	49	515.097	7	↓ MOL2 SDF SMILES Flexibase

36538769

Analogs

36538768

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-methyl-N-[(1S)-2-oxo-1-(9-phenanthryl)-2-(1,1,3,3-tetramethylbutylamino)ethyl]benzamide 2-chloro-N-methyl-N-[(1S)-2-oxo-…

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)	7.30	14.43	-17.22	1	4	0	49	515.097	7	↓ MOL2 SDF SMILES Flexibase

36538770

Analogs

36538771
36592826
36592827

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-2-chloro-N-methyl-benzamide N-[(1R)-2-(butylamino)-2-oxo-1-(…

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)	5.96	13.26	-11.14	1	4	0	49	458.989	7	↓ MOL2 SDF SMILES Flexibase

36538771

Analogs

36592826
36592827
36538770

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-2-chloro-N-methyl-benzamide N-[(1S)-2-(butylamino)-2-oxo-1-(…

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)	5.96	13.26	-14.07	1	4	0	49	458.989	7	↓ MOL2 SDF SMILES Flexibase

36539067

Analogs

36539068
36593163
36593164

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-4-fluoro-N-methyl-benzamide N-[(1R)-2-(tert-butylamino)-2-ox…

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)	5.24	12.82	-9.2	1	4	0	49	442.534	5	↓ MOL2 SDF SMILES Flexibase

36539068

Analogs

36593163
36593164
36539067

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-4-fluoro-N-methyl-benzamide N-[(1S)-2-(tert-butylamino)-2-ox…

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)	5.24	13.12	-10.1	1	4	0	49	442.534	5	↓ MOL2 SDF SMILES Flexibase

36539071

Analogs

36539072
36593167
36593168

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-methyl-N-[(1R)-2-oxo-1-(9-phenanthryl)-2-(1,1,3,3-tetramethylbutylamino)ethyl]benzamide 4-fluoro-N-methyl-N-[(1R)-2-oxo-…

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)	6.83	15.61	-8.47	1	4	0	49	498.642	7	↓ MOL2 SDF SMILES Flexibase

36539072

Analogs

36593167
36593168
36539071

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-methyl-N-[(1S)-2-oxo-1-(9-phenanthryl)-2-(1,1,3,3-tetramethylbutylamino)ethyl]benzamide 4-fluoro-N-methyl-N-[(1S)-2-oxo-…

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)	6.83	16.33	-9.68	1	4	0	49	498.642	7	↓ MOL2 SDF SMILES Flexibase

36539073

Analogs

36539074
36593169
36593170

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-4-fluoro-N-methyl-benzamide N-[(1R)-2-(butylamino)-2-oxo-1-(…

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)	5.49	13.07	-9.52	1	4	0	49	442.534	7	↓ MOL2 SDF SMILES Flexibase

36539074

Analogs

36593169
36593170
36539073

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-4-fluoro-N-methyl-benzamide N-[(1S)-2-(butylamino)-2-oxo-1-(…

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)	5.49	13.36	-10.32	1	4	0	49	442.534	7	↓ MOL2 SDF SMILES Flexibase

36539365

Analogs

36539366
36593514
36593515

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-4-nitro-benzamide N-[(1R)-2-(tert-butylamino)-2-ox…

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)	5.03	13.47	-10.5	1	7	0	95	469.541	6	↓ MOL2 SDF SMILES Flexibase

36539366

Analogs

36593514
36593515
36539365

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-4-nitro-benzamide N-[(1S)-2-(tert-butylamino)-2-ox…

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)	5.03	13.77	-11.43	1	7	0	95	469.541	6	↓ MOL2 SDF SMILES Flexibase

36539369

Analogs

36539370

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-4-nitro-N-[(1R)-2-oxo-1-(9-phenanthryl)-2-(1,1,3,3-tetramethylbutylamino)ethyl]benzamide N-methyl-4-nitro-N-[(1R)-2-oxo-1…

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)	6.63	16.26	-9.8	1	7	0	95	525.649	8	↓ MOL2 SDF SMILES Flexibase

36539370

Analogs

36539369

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-4-nitro-N-[(1S)-2-oxo-1-(9-phenanthryl)-2-(1,1,3,3-tetramethylbutylamino)ethyl]benzamide N-methyl-4-nitro-N-[(1S)-2-oxo-1…

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)	6.63	16.98	-10.93	1	7	0	95	525.649	8	↓ MOL2 SDF SMILES Flexibase

36539371

Analogs

36539372
36593516
36593517

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-4-nitro-benzamide N-[(1R)-2-(butylamino)-2-oxo-1-(…

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)	5.28	13.72	-10.84	1	7	0	95	469.541	8	↓ MOL2 SDF SMILES Flexibase

36539372

Analogs

36593516
36593517
36539371

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-4-nitro-benzamide N-[(1S)-2-(butylamino)-2-oxo-1-(…

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)	5.28	14.01	-11.72	1	7	0	95	469.541	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 95621
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 = 95621 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=95621&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": "95621"        

    });
</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