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

35625849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-ol (1S)-1-[2-[(5-methyl-1,3,4-oxadi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.65	-0.1	-11.01	1	5	0	68	248.282	5	↓ MOL2 SDF SMILES Flexibase

35625850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-ol (1R)-1-[2-[(5-methyl-1,3,4-oxadi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.65	-0.1	-11.43	1	5	0	68	248.282	5	↓ MOL2 SDF SMILES Flexibase

35625851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-ol (1R)-1-[2-[(5-ethyl-1,3,4-oxadia…

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)	1.22	0.65	-10.81	1	5	0	68	262.309	6	↓ MOL2 SDF SMILES Flexibase

35625852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-ol (1S)-1-[2-[(5-ethyl-1,3,4-oxadia…

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)	1.22	0.65	-10.39	1	5	0	68	262.309	6	↓ MOL2 SDF SMILES Flexibase

35626251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (1R)-1-[4-[(5-methyl-1,3,4-oxadi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.19	-1.16	-11.81	1	5	0	68	234.255	4	↓ MOL2 SDF SMILES Flexibase

35626252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (1S)-1-[4-[(5-methyl-1,3,4-oxadi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.19	-1.13	-11.94	1	5	0	68	234.255	4	↓ MOL2 SDF SMILES Flexibase

35626253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (1R)-1-[4-[(5-ethyl-1,3,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.77	-0.29	-10.51	1	5	0	68	248.282	5	↓ MOL2 SDF SMILES Flexibase

35626254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (1S)-1-[4-[(5-ethyl-1,3,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.77	-0.28	-10.63	1	5	0	68	248.282	5	↓ MOL2 SDF SMILES Flexibase

35626561

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (1R)-1-[3-methoxy-4-[(5-methyl-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)	-0.22	-1.25	-13.99	1	6	0	78	264.281	5	↓ MOL2 SDF SMILES Flexibase

35626562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (1S)-1-[3-methoxy-4-[(5-methyl-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)	-0.22	-1.23	-13.77	1	6	0	78	264.281	5	↓ MOL2 SDF SMILES Flexibase

35626563

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxy-phenyl]ethanol (1R)-1-[4-[(5-ethyl-1,3,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.36	-0.4	-13.7	1	6	0	78	278.308	6	↓ MOL2 SDF SMILES Flexibase

35626564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxy-phenyl]ethanol (1S)-1-[4-[(5-ethyl-1,3,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.36	-0.38	-13.56	1	6	0	78	278.308	6	↓ MOL2 SDF SMILES Flexibase

35626927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (1R)-1-[2-[(5-methyl-1,3,4-oxadi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.14	-0.93	-11.52	1	5	0	68	234.255	4	↓ MOL2 SDF SMILES Flexibase

35626928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (1S)-1-[2-[(5-methyl-1,3,4-oxadi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.14	-0.91	-11.13	1	5	0	68	234.255	4	↓ MOL2 SDF SMILES Flexibase

35626929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (1R)-1-[2-[(5-ethyl-1,3,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.72	-0.17	-10.98	1	5	0	68	248.282	5	↓ MOL2 SDF SMILES Flexibase

35626930

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (1S)-1-[2-[(5-ethyl-1,3,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.72	-0.17	-10.52	1	5	0	68	248.282	5	↓ MOL2 SDF SMILES Flexibase

35627322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-ol (2R)-4-[4-[(5-methyl-1,3,4-oxadi…

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)	1.06	0.41	-10.85	1	5	0	68	262.309	6	↓ MOL2 SDF SMILES Flexibase

35627323

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-ol (2S)-4-[4-[(5-methyl-1,3,4-oxadi…

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)	1.06	0.41	-10.82	1	5	0	68	262.309	6	↓ MOL2 SDF SMILES Flexibase

35627324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-ol (2R)-4-[4-[(5-ethyl-1,3,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.63	1.16	-10.8	1	5	0	68	276.336	7	↓ MOL2 SDF SMILES Flexibase

35627325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-ol (2S)-4-[4-[(5-ethyl-1,3,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.63	1.16	-10.28	1	5	0	68	276.336	7	↓ MOL2 SDF SMILES Flexibase

35627699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (1R)-1-[3-[(5-methyl-1,3,4-oxadi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.17	-1.06	-11.57	1	5	0	68	234.255	4	↓ MOL2 SDF SMILES Flexibase

35627700

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (1S)-1-[3-[(5-methyl-1,3,4-oxadi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.17	-1.03	-11.32	1	5	0	68	234.255	4	↓ MOL2 SDF SMILES Flexibase

35627701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (1R)-1-[3-[(5-ethyl-1,3,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.74	-0.4	-10.83	1	5	0	68	248.282	5	↓ MOL2 SDF SMILES Flexibase

35627702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (1S)-1-[3-[(5-ethyl-1,3,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.74	-0.37	-10.69	1	5	0	68	248.282	5	↓ MOL2 SDF SMILES Flexibase

35628241

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-ol (1S)-1-[4-[(5-methyl-1,3,4-oxadi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.70	-0.19	-11.01	1	5	0	68	248.282	5	↓ MOL2 SDF SMILES Flexibase

35628242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-ol (1R)-1-[4-[(5-methyl-1,3,4-oxadi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.70	-0.23	-10.89	1	5	0	68	248.282	5	↓ MOL2 SDF SMILES Flexibase

35628243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-ol (1R)-1-[4-[(5-ethyl-1,3,4-oxadia…

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)	1.27	0.53	-10.29	1	5	0	68	262.309	6	↓ MOL2 SDF SMILES Flexibase

35628244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-ol (1S)-1-[4-[(5-ethyl-1,3,4-oxadia…

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)	1.27	0.57	-10.42	1	5	0	68	262.309	6	↓ MOL2 SDF SMILES Flexibase

35630019

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (1R)-1-[5-methyl-2-[(5-methyl-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)	0.57	-0.26	-11.38	1	5	0	68	248.282	4	↓ MOL2 SDF SMILES Flexibase

35630021

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (1S)-1-[5-methyl-2-[(5-methyl-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)	0.57	-0.25	-10.97	1	5	0	68	248.282	4	↓ MOL2 SDF SMILES Flexibase

35630023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methyl-phenyl]ethanol (1R)-1-[2-[(5-ethyl-1,3,4-oxadia…

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)	1.14	0.5	-10.76	1	5	0	68	262.309	5	↓ MOL2 SDF SMILES Flexibase

35630025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methyl-phenyl]ethanol (1S)-1-[2-[(5-ethyl-1,3,4-oxadia…

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)	1.14	0.5	-10.38	1	5	0	68	262.309	5	↓ MOL2 SDF SMILES Flexibase

11815236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-ynyl-propanamide N-allyl-3-[5-(phenoxymethyl)-1,3…

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)	1.25	4.78	-13.36	0	6	0	68	325.368	9	↓ MOL2 SDF SMILES Flexibase

20891440

Analogs

22557466

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanoethyl)-2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-acetami N-(2-cyanoethyl)-2-[[5-[(2,5-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)	1.45	4.55	-16.82	0	7	0	92	360.439	8	↓ MOL2 SDF SMILES Flexibase

37093733

Analogs

12971586

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxy-benzoic 2-[(5-ethyl-1,3,4-oxadiazol-2-yl…

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)	1.18	2.06	-64.18	0	7	-1	98	277.256	6	↓ MOL2 SDF SMILES Flexibase

37093773

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]prop-2-enoic (E)-3-[5-methoxy-2-[(5-methyl-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)	0.41	1.9	-63.48	0	7	-1	98	289.267	6	↓ MOL2 SDF SMILES Flexibase

37093935

Analogs

42876846
6553708

Draw Identity 99% 90% 80% 70%

Popular Name: [5-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol [5-methoxy-2-[(5-methyl-1,3,4-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)	-0.05	-2.47	-13.09	1	6	0	78	250.254	5	↓ MOL2 SDF SMILES Flexibase

37093936

Analogs

42876842

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxy-phenyl]methanol [2-[(5-ethyl-1,3,4-oxadiazol-2-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.52	-1.72	-12.5	1	6	0	78	264.281	6	↓ MOL2 SDF SMILES Flexibase

57916549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-butylsulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole 2-butylsulfanyl-5-[(4-chlorophen…

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	4.02	-7.73	0	4	0	48	298.795	7	↓ MOL2 SDF SMILES Flexibase

57927360

Analogs

4130295
44865546

Draw Identity 99% 90% 80% 70%

Popular Name: 2-butylsulfanyl-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole 2-butylsulfanyl-5-[(3-methylphen…

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	4.17	-8.16	0	4	0	48	278.377	7	↓ MOL2 SDF SMILES Flexibase

61495614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-bromopropyl]-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-[(4-chl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	3.33	-8.38	0	4	0	48	331.597	5	↓ MOL2 SDF SMILES Flexibase

61495616

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-[(4-chl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	3.32	-8.08	0	4	0	48	331.597	5	↓ MOL2 SDF SMILES Flexibase

61495927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-bromopropyl]-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-[(1R)-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)	3.23	3.9	-7.67	0	4	0	48	345.624	5	↓ MOL2 SDF SMILES Flexibase

61495930

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-[(1R)-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)	3.23	3.9	-7.54	0	4	0	48	345.624	5	↓ MOL2 SDF SMILES Flexibase

61495936

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-bromopropyl]-5-[(1S)-1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-[(1S)-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)	3.23	3.9	-9.5	0	4	0	48	345.624	5	↓ MOL2 SDF SMILES Flexibase

61495938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-[(1S)-1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-[(1S)-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)	3.23	3.9	-9.78	0	4	0	48	345.624	5	↓ MOL2 SDF SMILES Flexibase

61495943

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-bromopropyl]-5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-[(3-chl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.87	3.34	-9.43	0	4	0	48	331.597	5	↓ MOL2 SDF SMILES Flexibase

61495946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-[(3-chl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.87	3.33	-8.95	0	4	0	48	331.597	5	↓ MOL2 SDF SMILES Flexibase

61496795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-[(1R)-1-(3-chloropheno…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.03	0.65	-46.25	3	5	1	76	282.751	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.03	0.33	-6.82	2	5	0	74	281.743	5	↓ MOL2 SDF SMILES Flexibase

61496797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-[(1R)-1-(3-chloropheno…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.03	0.64	-46.91	3	5	1	76	282.751	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.03	0.3	-7.93	2	5	0	74	281.743	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 18928
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 = 18928 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=18928&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": "18928"        

    });
</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