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ZINC Item

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35625853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]propan-1-ol (1S)-1-[2-(1,2,4-oxadiazol-3-ylm…

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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)	1.47	1.58	-11.06	1	5	0	68	234.255	5	↓ MOL2 SDF SMILES Flexibase

35625854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]propan-1-ol (1R)-1-[2-(1,2,4-oxadiazol-3-ylm…

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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)	1.47	1.59	-11.28	1	5	0	68	234.255	5	↓ MOL2 SDF SMILES Flexibase

35625855

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.69	2.33	-10.52	1	5	0	68	248.282	5	↓ MOL2 SDF SMILES Flexibase

35625856

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.69	2.33	-10.74	1	5	0	68	248.282	5	↓ MOL2 SDF SMILES Flexibase

35626255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanol (1S)-1-[4-(1,2,4-oxadiazol-3-ylm…

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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)	1.01	0.58	-11.86	1	5	0	68	220.228	4	↓ MOL2 SDF SMILES Flexibase

35626256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanol (1R)-1-[4-(1,2,4-oxadiazol-3-ylm…

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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)	1.01	0.54	-11.82	1	5	0	68	220.228	4	↓ MOL2 SDF SMILES Flexibase

35626257

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.23	1.29	-11.24	1	5	0	68	234.255	4	↓ MOL2 SDF SMILES Flexibase

35626258

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.23	1.31	-11.18	1	5	0	68	234.255	4	↓ MOL2 SDF SMILES Flexibase

35626565

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	0.60	0.47	-13.97	1	6	0	78	250.254	5	↓ MOL2 SDF SMILES Flexibase

35626566

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	0.60	0.43	-14.03	1	6	0	78	250.254	5	↓ MOL2 SDF SMILES Flexibase

35626567

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	0.82	1.18	-13.44	1	6	0	78	264.281	5	↓ MOL2 SDF SMILES Flexibase

35626568

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	0.82	1.21	-13.46	1	6	0	78	264.281	5	↓ MOL2 SDF SMILES Flexibase

35626931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanol (1S)-1-[2-(1,2,4-oxadiazol-3-ylm…

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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)	0.96	0.68	-11.05	1	5	0	68	220.228	4	↓ MOL2 SDF SMILES Flexibase

35626932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanol (1R)-1-[2-(1,2,4-oxadiazol-3-ylm…

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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)	0.96	0.67	-11.09	1	5	0	68	220.228	4	↓ MOL2 SDF SMILES Flexibase

35626933

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.19	1.42	-10.39	1	5	0	68	234.255	4	↓ MOL2 SDF SMILES Flexibase

35626934

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.19	1.41	-10.49	1	5	0	68	234.255	4	↓ MOL2 SDF SMILES Flexibase

35627326

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-ol (2S)-4-[4-(1,2,4-oxadiazol-3-ylm…

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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)	1.88	2.1	-11.07	1	5	0	68	248.282	6	↓ MOL2 SDF SMILES Flexibase

35627327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-ol (2R)-4-[4-(1,2,4-oxadiazol-3-ylm…

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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)	1.88	2.1	-11.44	1	5	0	68	248.282	6	↓ MOL2 SDF SMILES Flexibase

35627328

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.10	2.85	-10.38	1	5	0	68	262.309	6	↓ MOL2 SDF SMILES Flexibase

35627329

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.10	2.85	-10.38	1	5	0	68	262.309	6	↓ MOL2 SDF SMILES Flexibase

35627703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanol (1S)-1-[3-(1,2,4-oxadiazol-3-ylm…

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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)	0.99	0.57	-11.38	1	5	0	68	220.228	4	↓ MOL2 SDF SMILES Flexibase

35627704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanol (1R)-1-[3-(1,2,4-oxadiazol-3-ylm…

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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)	0.99	0.53	-11.46	1	5	0	68	220.228	4	↓ MOL2 SDF SMILES Flexibase

35627705

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.21	1.28	-10.72	1	5	0	68	234.255	4	↓ MOL2 SDF SMILES Flexibase

35627706

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.21	1.3	-10.76	1	5	0	68	234.255	4	↓ MOL2 SDF SMILES Flexibase

35628245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]propan-1-ol (1S)-1-[4-(1,2,4-oxadiazol-3-ylm…

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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)	1.52	1.5	-11	1	5	0	68	234.255	5	↓ MOL2 SDF SMILES Flexibase

35628246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]propan-1-ol (1R)-1-[4-(1,2,4-oxadiazol-3-ylm…

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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)	1.52	1.46	-10.9	1	5	0	68	234.255	5	↓ MOL2 SDF SMILES Flexibase

35628247

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.74	2.24	-10.36	1	5	0	68	248.282	5	↓ MOL2 SDF SMILES Flexibase

35628248

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.74	2.21	-10.28	1	5	0	68	248.282	5	↓ MOL2 SDF SMILES Flexibase

35630027

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.39	1.33	-11.19	1	5	0	68	234.255	4	↓ MOL2 SDF SMILES Flexibase

35630029

Analogs

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

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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)	1.39	1.34	-11.07	1	5	0	68	234.255	4	↓ MOL2 SDF SMILES Flexibase

35630031

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.61	2.18	-10.67	1	5	0	68	248.282	4	↓ MOL2 SDF SMILES Flexibase

35630033

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.61	2.19	-10.49	1	5	0	68	248.282	4	↓ MOL2 SDF SMILES Flexibase

20362144

Analogs

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Popular Name: 5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic 5-bromo-2-(1,2,4-oxadiazol-3-ylm…

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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)	2.18	3.57	-61.15	0	6	-1	88	298.072	4	↓ MOL2 SDF SMILES Flexibase

20362145

Analogs

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Popular Name: (E)-3-[3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]prop-2-enoic (E)-3-[3-methoxy-4-(1,2,4-oxadia…

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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)	1.01	3.34	-56.81	0	7	-1	98	275.24	6	↓ MOL2 SDF SMILES Flexibase

20362159

Analogs

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Popular Name: 5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde 5-bromo-2-(1,2,4-oxadiazol-3-ylm…

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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)	1.98	2.99	-11.59	0	5	0	65	283.081	4	↓ MOL2 SDF SMILES Flexibase

20362160

Analogs

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Popular Name: 3,5-dimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde 3,5-dimethyl-4-(1,2,4-oxadiazol-…

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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)	1.99	3.82	-12.84	0	5	0	65	232.239	4	↓ MOL2 SDF SMILES Flexibase

20362161

Analogs

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Popular Name: [5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanol [5-bromo-2-(1,2,4-oxadiazol-3-yl…

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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)	1.52	0.69	-11.55	1	5	0	68	285.097	4	↓ MOL2 SDF SMILES Flexibase

20362184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic (E)-3-[4-[(5-methyl-1,2,4-oxadia…

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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)	1.64	4.17	-55.19	0	6	-1	88	259.241	5	↓ MOL2 SDF SMILES Flexibase

22767024

Analogs

31032441

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Popular Name: N-[2-(isopropylamino)-2-oxo-ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide N-[2-(isopropylamino)-2-oxo-ethy…

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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)	1.64	2.93	-20	2	8	0	106	332.36	7	↓ MOL2 SDF SMILES Flexibase

54436016

Analogs

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Popular Name: 5-(chloromethyl)-3-(phenoxymethyl)-1,2,4-oxadiazole 5-(chloromethyl)-3-(phenoxymethy…

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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)	2.26	3.72	-9.22	0	4	0	48	224.647	4	↓ MOL2 SDF SMILES Flexibase

54436018

Analogs

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Popular Name: 5-(2-chloroethyl)-3-(phenoxymethyl)-1,2,4-oxadiazole 5-(2-chloroethyl)-3-(phenoxymeth…

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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)	2.47	4.51	-7.86	0	4	0	48	238.674	5	↓ MOL2 SDF SMILES Flexibase

54436020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-chloroethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole 5-[(1S)-1-chloroethyl]-3-(phenox…

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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)	2.63	4.4	-7.77	0	4	0	48	238.674	4	↓ MOL2 SDF SMILES Flexibase

54436022

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-chloroethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole 5-[(1R)-1-chloroethyl]-3-(phenox…

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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)	2.63	4.41	-8.17	0	4	0	48	238.674	4	↓ MOL2 SDF SMILES Flexibase

54436028

Analogs

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Popular Name: 5-(3-chloropropyl)-3-(phenoxymethyl)-1,2,4-oxadiazole 5-(3-chloropropyl)-3-(phenoxymet…

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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)	2.74	5.28	-10.51	0	4	0	48	252.701	6	↓ MOL2 SDF SMILES Flexibase

54436038

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine 5-[3-(phenoxymethyl)-1,2,4-oxadi…

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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)	1.72	3.59	-49.38	3	5	1	76	262.333	8	↓ MOL2 SDF SMILES Flexibase

54436060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine N-methyl-3-[3-(phenoxymethyl)-1,…

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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)	1.92	3.92	-48.35	2	5	1	65	248.306	7	↓ MOL2 SDF SMILES Flexibase

54436064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine 6-[3-(phenoxymethyl)-1,2,4-oxadi…

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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)	2.22	4.38	-48.84	3	5	1	76	276.36	9	↓ MOL2 SDF SMILES Flexibase

54436068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-methylsulfonyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1S)-3-methylsulfonyl-1-[3-(phen…

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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)	-1.15	-0.49	-72.22	3	7	1	110	312.371	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.15	-0.83	-21.74	2	7	0	108	311.363	7	↓ MOL2 SDF SMILES Flexibase

54436069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-3-methylsulfonyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1R)-3-methylsulfonyl-1-[3-(phen…

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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)	-1.15	-0.49	-70.43	3	7	1	110	312.371	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.15	-0.79	-18.72	2	7	0	108	311.363	7	↓ MOL2 SDF SMILES Flexibase

54436089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-methylsulfanyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1S)-3-methylsulfanyl-1-[3-(phen…

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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	3.18	-55.58	3	5	1	76	280.373	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.03	2.87	-8.74	2	5	0	74	279.365	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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