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

53311499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(R)-(4-ethoxyphenyl)-phenyl-methyl]amino]-2-oxo-ethoxy]benzamide 4-[2-[[(R)-(4-ethoxyphenyl)-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)	3.53	8.26	-18.6	3	6	0	91	404.466	9	↓ MOL2 SDF SMILES Flexibase

53311501

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(S)-(4-ethoxyphenyl)-phenyl-methyl]amino]-2-oxo-ethoxy]benzamide 4-[2-[[(S)-(4-ethoxyphenyl)-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)	3.53	8.24	-18.57	3	6	0	91	404.466	9	↓ MOL2 SDF SMILES Flexibase

36640231

Analogs

36751301
8499760
8499763

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzhydryl-2-(4-formylphenoxy)-N-methyl-acetamide N-benzhydryl-2-(4-formylphenoxy)…

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	12.2	-18.78	0	4	0	47	359.425	7	↓ MOL2 SDF SMILES Flexibase

36640234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzhydryl-2-(4-formyl-2-methoxy-phenoxy)-N-methyl-acetamide N-benzhydryl-2-(4-formyl-2-metho…

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)	3.90	11.95	-18.5	0	5	0	56	389.451	8	↓ MOL2 SDF SMILES Flexibase

36640236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzhydryl-2-(4-bromo-2-formyl-phenoxy)-N-methyl-acetamide N-benzhydryl-2-(4-bromo-2-formyl…

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)	5.05	12.85	-16.11	0	4	0	47	438.321	7	↓ MOL2 SDF SMILES Flexibase

36640237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	4.69	13.11	-15.05	0	5	0	56	389.451	8	↓ MOL2 SDF SMILES Flexibase

13013982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[2-(benzhydrylamino)-2-oxo-ethoxy]phenyl]propanoic 3-[2-[2-(benzhydrylamino)-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)	4.17	12.48	-67.89	1	5	-1	78	388.443	9	↓ MOL2 SDF SMILES Flexibase

13014504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(benzhydrylamino)-2-oxo-ethoxy]-3,5,6-trichloro-benzoic 2-[2-(benzhydrylamino)-2-oxo-eth…

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)	5.67	12.5	-56.25	1	5	-1	78	463.724	7	↓ MOL2 SDF SMILES Flexibase

13410502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-2-(benzhydrylamino)-1-methyl-2-oxo-ethoxy]benzoic 2-[(1R)-2-(benzhydrylamino)-1-me…

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	11.93	-76.41	1	5	-1	78	374.416	7	↓ MOL2 SDF SMILES Flexibase

13410506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-2-(benzhydrylamino)-1-methyl-2-oxo-ethoxy]benzoic 2-[(1S)-2-(benzhydrylamino)-1-me…

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	11.97	-76.24	1	5	-1	78	374.416	7	↓ MOL2 SDF SMILES Flexibase

13411275

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(S)-(4-chlorophenyl)-phenyl-methyl]amino]-2-oxo-ethoxy]benzoic 2-[2-[[(S)-(4-chlorophenyl)-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)	4.90	11.88	-74.04	1	5	-1	78	394.834	7	↓ MOL2 SDF SMILES Flexibase

13411277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(R)-(4-chlorophenyl)-phenyl-methyl]amino]-2-oxo-ethoxy]benzoic 2-[2-[[(R)-(4-chlorophenyl)-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)	4.90	11.87	-74.04	1	5	-1	78	394.834	7	↓ MOL2 SDF SMILES Flexibase

13411389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[bis(4-methoxyphenyl)methylamino]-2-oxo-ethoxy]benzoic 2-[2-[bis(4-methoxyphenyl)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)	4.34	9.95	-77.75	1	7	-1	97	420.441	9	↓ MOL2 SDF SMILES Flexibase

13411393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]-2-oxo-ethoxy]benzoic 2-[2-[[(R)-(4-ethylphenyl)-(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)	5.28	12.87	-77.05	1	5	-1	78	406.433	8	↓ MOL2 SDF SMILES Flexibase

13411395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]-2-oxo-ethoxy]benzoic 2-[2-[[(S)-(4-ethylphenyl)-(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)	5.28	12.86	-72.91	1	5	-1	78	406.433	8	↓ MOL2 SDF SMILES Flexibase

13412878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-(benzhydrylamino)-1-methyl-2-oxo-ethoxy]benzoic 4-[(1R)-2-(benzhydrylamino)-1-me…

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)	4.55	11.46	-56.9	1	5	-1	78	374.416	7	↓ MOL2 SDF SMILES Flexibase

13412881

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-2-(benzhydrylamino)-1-methyl-2-oxo-ethoxy]benzoic 4-[(1S)-2-(benzhydrylamino)-1-me…

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)	4.55	11.45	-57.57	1	5	-1	78	374.416	7	↓ MOL2 SDF SMILES Flexibase

13413567

Analogs

13079802

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[bis(4-methoxyphenyl)methylamino]-2-oxo-ethoxy]benzoic 4-[2-[bis(4-methoxyphenyl)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)	4.30	9.46	-59.82	1	7	-1	97	420.441	9	↓ MOL2 SDF SMILES Flexibase

13413570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]-2-oxo-ethoxy]benzoic 4-[2-[[(R)-(4-ethylphenyl)-(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)	5.24	12.39	-58.3	1	5	-1	78	406.433	8	↓ MOL2 SDF SMILES Flexibase

13413573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]-2-oxo-ethoxy]benzoic 4-[2-[[(S)-(4-ethylphenyl)-(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)	5.24	12.38	-56.73	1	5	-1	78	406.433	8	↓ MOL2 SDF SMILES Flexibase

13418993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-2-(benzhydrylamino)-1-methyl-2-oxo-ethoxy]benzoic 3-[(1R)-2-(benzhydrylamino)-1-me…

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)	4.53	11.43	-65.24	1	5	-1	78	374.416	7	↓ MOL2 SDF SMILES Flexibase

13418994

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-2-(benzhydrylamino)-1-methyl-2-oxo-ethoxy]benzoic 3-[(1S)-2-(benzhydrylamino)-1-me…

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)	4.53	11.47	-65.27	1	5	-1	78	374.416	7	↓ MOL2 SDF SMILES Flexibase

13419197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(S)-(4-chlorophenyl)-phenyl-methyl]amino]-2-oxo-ethoxy]benzoic 3-[2-[[(S)-(4-chlorophenyl)-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)	4.84	11.38	-64.68	1	5	-1	78	394.834	7	↓ MOL2 SDF SMILES Flexibase

13419198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(R)-(4-chlorophenyl)-phenyl-methyl]amino]-2-oxo-ethoxy]benzoic 3-[2-[[(R)-(4-chlorophenyl)-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)	4.84	11.37	-64.69	1	5	-1	78	394.834	7	↓ MOL2 SDF SMILES Flexibase

13419234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[bis(4-methoxyphenyl)methylamino]-2-oxo-ethoxy]benzoic 3-[2-[bis(4-methoxyphenyl)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)	4.28	9.45	-68.03	1	7	-1	97	420.441	9	↓ MOL2 SDF SMILES Flexibase

13419235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]-2-oxo-ethoxy]benzoic 3-[2-[[(R)-(4-ethylphenyl)-(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)	5.22	12.37	-66.93	1	5	-1	78	406.433	8	↓ MOL2 SDF SMILES Flexibase

13419236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]-2-oxo-ethoxy]benzoic 3-[2-[[(S)-(4-ethylphenyl)-(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)	5.22	12.36	-63.74	1	5	-1	78	406.433	8	↓ MOL2 SDF SMILES Flexibase

13419567

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(benzhydrylamino)-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-(benzhydrylamino)-2-oxo-eth…

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)	3.78	10.61	-58.37	1	6	-1	88	390.415	8	↓ MOL2 SDF SMILES Flexibase

13419983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-2-(benzhydrylamino)-1-methyl-2-oxo-ethoxy]-3-methoxy-benzoic 4-[(1S)-2-(benzhydrylamino)-1-me…

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)	4.14	11.23	-58.3	1	6	-1	88	404.442	8	↓ MOL2 SDF SMILES Flexibase

13419984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-(benzhydrylamino)-1-methyl-2-oxo-ethoxy]-3-methoxy-benzoic 4-[(1R)-2-(benzhydrylamino)-1-me…

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)	4.14	11.18	-57.8	1	6	-1	88	404.442	8	↓ MOL2 SDF SMILES Flexibase

13420236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(S)-(4-chlorophenyl)-phenyl-methyl]amino]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[[(S)-(4-chlorophenyl)-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)	4.46	11.14	-58.19	1	6	-1	88	424.86	8	↓ MOL2 SDF SMILES Flexibase

13420237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(R)-(4-chlorophenyl)-phenyl-methyl]amino]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[[(R)-(4-chlorophenyl)-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)	4.46	11.13	-58.17	1	6	-1	88	424.86	8	↓ MOL2 SDF SMILES Flexibase

13420278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[bis(4-methoxyphenyl)methylamino]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[bis(4-methoxyphenyl)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)	3.89	9.21	-61.01	1	8	-1	106	450.467	10	↓ MOL2 SDF SMILES Flexibase

13420279

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[[(R)-(4-ethylphenyl)-(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)	4.83	12.13	-59.59	1	6	-1	88	436.459	9	↓ MOL2 SDF SMILES Flexibase

13420280

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[[(S)-(4-ethylphenyl)-(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)	4.83	12.12	-57.84	1	6	-1	88	436.459	9	↓ MOL2 SDF SMILES Flexibase

13420738

Analogs

12925188

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-(benzhydrylamino)-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-(benzhydrylamino)-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)	3.70	11.67	-55.59	1	5	-1	78	374.416	8	↓ MOL2 SDF SMILES Flexibase

13421112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(1R)-2-(benzhydrylamino)-1-methyl-2-oxo-ethoxy]phenyl]acetic 2-[4-[(1R)-2-(benzhydrylamino)-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)	4.07	12.23	-55.16	1	5	-1	78	388.443	8	↓ MOL2 SDF SMILES Flexibase

13421113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(1S)-2-(benzhydrylamino)-1-methyl-2-oxo-ethoxy]phenyl]acetic 2-[4-[(1S)-2-(benzhydrylamino)-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)	4.07	12.24	-55.37	1	5	-1	78	388.443	8	↓ MOL2 SDF SMILES Flexibase

13421349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-[[(S)-(4-chlorophenyl)-phenyl-methyl]amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[[(S)-(4-chlorophenyl)-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)	4.38	12.19	-55.29	1	5	-1	78	408.861	8	↓ MOL2 SDF SMILES Flexibase

13421350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-[[(R)-(4-chlorophenyl)-phenyl-methyl]amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[[(R)-(4-chlorophenyl)-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)	4.38	12.18	-55.05	1	5	-1	78	408.861	8	↓ MOL2 SDF SMILES Flexibase

13421383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[[(R)-(4-ethylphenyl)-(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)	4.76	13.18	-56.81	1	5	-1	78	420.46	9	↓ MOL2 SDF SMILES Flexibase

13421384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[[(S)-(4-ethylphenyl)-(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)	4.76	13.17	-55.18	1	5	-1	78	420.46	9	↓ MOL2 SDF SMILES Flexibase

13421809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(benzhydrylamino)-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-(benzhydrylamino)-2-oxo-eth…

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	10.98	-131.9	1	7	-2	119	403.39	8	↓ MOL2 SDF SMILES Flexibase

13422249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-(benzhydrylamino)-1-methyl-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[(1R)-2-(benzhydrylamino)-1-me…

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)	4.47	11.56	-133.01	1	7	-2	119	417.417	8	↓ MOL2 SDF SMILES Flexibase

13422250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-2-(benzhydrylamino)-1-methyl-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[(1S)-2-(benzhydrylamino)-1-me…

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)	4.47	11.6	-132.5	1	7	-2	119	417.417	8	↓ MOL2 SDF SMILES Flexibase

13422510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(S)-(4-chlorophenyl)-phenyl-methyl]amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[[(S)-(4-chlorophenyl)-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)	4.79	11.51	-130.61	1	7	-2	119	437.835	8	↓ MOL2 SDF SMILES Flexibase

13422511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(R)-(4-chlorophenyl)-phenyl-methyl]amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[[(R)-(4-chlorophenyl)-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)	4.79	11.5	-130.55	1	7	-2	119	437.835	8	↓ MOL2 SDF SMILES Flexibase

13422553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[bis(4-methoxyphenyl)methylamino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[bis(4-methoxyphenyl)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)	4.22	9.59	-133.97	1	9	-2	137	463.442	10	↓ MOL2 SDF SMILES Flexibase

13422554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[[(R)-(4-ethylphenyl)-(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)	5.16	12.5	-133.22	1	7	-2	119	449.434	9	↓ MOL2 SDF SMILES Flexibase

13422555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[[(S)-(4-ethylphenyl)-(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)	5.16	12.49	-130.25	1	7	-2	119	449.434	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 3367
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 = 3367 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3367&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": "3367"        

    });
</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