ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

12029158

Analogs

12029161
39364787
39364788

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(3-isopentyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-methoxyphenyl)-N-methyl-ethanamine (1R)-N-[(3-isopentyl-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)	3.64	2.19	-37.55	1	5	1	53	318.441	8	↓ MOL2 SDF SMILES Flexibase

12029161

Analogs

39364787
39364788
12029158

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(3-isopentyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-methoxyphenyl)-N-methyl-ethanamine (1S)-N-[(3-isopentyl-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)	3.64	1.85	-37.52	1	5	1	53	318.441	8	↓ MOL2 SDF SMILES Flexibase

62621117

Analogs

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Popular Name: tert-butyl tert-butyl

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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)	3.11	2.19	-10.38	2	8	0	101	487.37	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.11	4.4	-46.68	3	8	1	102	488.378	10	↓ MOL2 SDF SMILES Flexibase

69458083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-methanamine N-[(5-bromo-2-methoxy-phenyl)met…

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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)	2.59	6.33	-42.71	1	5	1	53	341.229	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.59	3.98	-8.23	0	5	0	51	340.221	6	↓ MOL2 SDF SMILES Flexibase

69460390

Analogs

43403841

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(4-fluorophenyl)methyl]-N-methyl-methanamine 1-(3-tert-butyl-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)	3.11	7.19	-50.24	1	4	1	43	278.351	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.11	4.87	-8.82	0	4	0	42	277.343	5	↓ MOL2 SDF SMILES Flexibase

69460986

Analogs

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Popular Name: (1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-ethanamine (1R)-N-[(3,4-dimethoxyphenyl)met…

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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)	2.00	5.78	-48.23	1	6	1	62	306.386	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.00	3.49	-11.64	0	6	0	61	305.378	7	↓ MOL2 SDF SMILES Flexibase

69460988

Analogs

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Popular Name: (1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-ethanamine (1S)-N-[(3,4-dimethoxyphenyl)met…

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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)	2.00	5.77	-48.33	1	6	1	62	306.386	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.00	3.49	-11.8	0	6	0	61	305.378	7	↓ MOL2 SDF SMILES Flexibase

69508983

Analogs

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Popular Name: N-[(3,4-difluorophenyl)methyl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine N-[(3,4-difluorophenyl)methyl]-N…

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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)	2.42	6.74	-52.55	1	4	1	43	282.314	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.42	5.21	-10.02	0	4	0	42	281.306	6	↓ MOL2 SDF SMILES Flexibase

55017420

Analogs

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

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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)	-0.29	3.46	-11.34	1	5	0	75	242.282	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.29	4.71	-52.64	2	5	1	79	243.29	5	↓ MOL2 SDF SMILES Flexibase

55017423

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	-0.29	3.44	-10.82	1	5	0	75	242.282	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.29	4.71	-52.79	2	5	1	79	243.29	5	↓ MOL2 SDF SMILES Flexibase

55099048

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-fluoro-2-methoxy-phenyl)-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methyl-amino]a (2S)-2-(5-fluoro-2-methoxy-pheny…

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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)	0.98	5.57	-31.68	1	8	0	102	353.35	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.98	3.59	-47.55	0	8	-1	101	352.342	9	↓ MOL2 SDF SMILES Flexibase

55099050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-fluoro-2-methoxy-phenyl)-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methyl-amino]a (2R)-2-(5-fluoro-2-methoxy-pheny…

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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)	0.98	5.41	-30.88	1	8	0	102	353.35	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.98	3.44	-48.99	0	8	-1	101	352.342	9	↓ MOL2 SDF SMILES Flexibase

55107717

Analogs

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Popular Name: 2-ethoxy-6-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]phenol 2-ethoxy-6-[[ethyl-[[3-(methoxym…

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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)	1.49	3.15	-44.33	2	7	1	82	322.385	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.49	0.91	-12.89	1	7	0	81	321.377	9	↓ MOL2 SDF SMILES Flexibase

55108279

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2,6-dimethyl-4-[[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]phenyl] [2,6-dimethyl-4-[[[(1S)-1-(3-met…

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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)	2.34	7.55	-47.27	2	6	1	82	318.397	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.34	6.13	-12.96	1	6	0	77	317.389	7	↓ MOL2 SDF SMILES Flexibase

55108281

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2,6-dimethyl-4-[[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]phenyl] [2,6-dimethyl-4-[[[(1R)-1-(3-met…

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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)	2.34	7.55	-47.3	2	6	1	82	318.397	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.34	6.18	-14.03	1	6	0	77	317.389	7	↓ MOL2 SDF SMILES Flexibase

55108657

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-(4-fluoro-3-methyl-phenyl)ace (2S)-2-[ethyl-[[3-(methoxymethyl…

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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)	1.54	6.46	-33.81	1	7	0	93	337.351	8	↓ MOL2 SDF SMILES Flexibase

55108659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-(4-fluoro-3-methyl-phenyl)ace (2R)-2-[ethyl-[[3-(methoxymethyl…

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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)	1.54	6.2	-31.19	1	7	0	93	337.351	8	↓ MOL2 SDF SMILES Flexibase

55108953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-chloro-5-fluoro-4-methoxy-phenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]eth N-[(3-chloro-5-fluoro-4-methoxy-…

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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)	2.32	5	-54.69	1	6	1	62	344.794	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.32	2.78	-11.62	0	6	0	61	343.786	8	↓ MOL2 SDF SMILES Flexibase

55414191

Analogs

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Popular Name: (2S)-2-(4-fluoro-3-methyl-phenyl)-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methyl-amino]ac (2S)-2-(4-fluoro-3-methyl-phenyl…

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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)	1.37	6.89	-31.86	1	7	0	93	337.351	8	↓ MOL2 SDF SMILES Flexibase

55414192

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-fluoro-3-methyl-phenyl)-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methyl-amino]ac (2R)-2-(4-fluoro-3-methyl-phenyl…

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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)	1.37	6.56	-31.57	1	7	0	93	337.351	8	↓ MOL2 SDF SMILES Flexibase

55414986

Analogs

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

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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)	2.03	7.46	-35.28	1	7	0	93	333.388	8	↓ MOL2 SDF SMILES Flexibase

55414988

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.03	7.34	-30.64	1	7	0	93	333.388	8	↓ MOL2 SDF SMILES Flexibase

69707688

Analogs

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

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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)	2.05	2.94	-41.92	3	5	1	76	276.36	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.05	1.81	-8.68	2	5	0	71	275.352	7	↓ MOL2 SDF SMILES Flexibase

69707690

Analogs

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

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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)	2.05	2.96	-41.51	3	5	1	76	276.36	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.05	1.82	-9.21	2	5	0	71	275.352	7	↓ MOL2 SDF SMILES Flexibase

65531720

Analogs

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Popular Name: N-ethyl-2-[2-({3-nitro-4-methylphenyl}imino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide N-ethyl-2-[2-({3-nitro-4-methylp…

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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	5.8	-55.99	1	5	1	53	300.741	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.98	3.44	-10.98	0	5	0	51	299.733	5	↓ MOL2 SDF SMILES Flexibase

65535888

Analogs

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

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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	5.13	-52.6	2	5	1	65	308.377	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.63	4.26	-7.75	1	5	0	60	307.369	8	↓ MOL2 SDF SMILES Flexibase

65535891

Analogs

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

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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	5.28	-49.52	2	5	1	65	308.377	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.63	4.05	-8.49	1	5	0	60	307.369	8	↓ MOL2 SDF SMILES Flexibase

65540182

Analogs

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Popular Name: N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]propan-2-amine N-[(3-ethyl-1,2,4-oxadiazol-5-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)	3.42	6.38	-48.21	2	4	1	56	314.331	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.42	5.29	-7.21	1	4	0	51	313.323	6	↓ MOL2 SDF SMILES Flexibase

65550335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-ethyl-amino]methyl]-3-fluoro-benzonitrile 4-[[(3-tert-butyl-1,2,4-oxadiazo…

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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)	3.17	5.89	-11.94	0	5	0	66	316.38	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.17	8.11	-51.04	1	5	1	67	317.388	6	↓ MOL2 SDF SMILES Flexibase

55569071

Analogs

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Popular Name: 2-[2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]phenoxy]acetic 2-[2-[[ethyl-[[3-(methoxymethyl)…

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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	5.93	-55.55	1	8	0	102	335.36	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.82	3.69	-56.44	0	8	-1	101	334.352	10	↓ MOL2 SDF SMILES Flexibase

65575231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-difluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-methanamine 1-(2,4-difluorophenyl)-N-[[3-(2-…

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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)	1.66	3.25	-9.6	0	5	0	51	297.305	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.66	5.6	-49.56	1	5	1	53	298.313	7	↓ MOL2 SDF SMILES Flexibase

65575468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (1S)-1-(2-chlorophenyl)-N-[(3-pr…

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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)	3.24	6.18	-44.45	2	4	1	56	280.779	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.24	5.2	-6.19	1	4	0	51	279.771	6	↓ MOL2 SDF SMILES Flexibase

65575469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (1R)-1-(2-chlorophenyl)-N-[(3-pr…

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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)	3.24	6.19	-44.15	2	4	1	56	280.779	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.24	5.08	-5.91	1	4	0	51	279.771	6	↓ MOL2 SDF SMILES Flexibase

65575540

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (1R)-N-[(2-fluorophenyl)methyl]-…

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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)	1.90	5.86	-38.57	1	4	1	43	250.297	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.90	3.57	-8.67	0	4	0	42	249.289	4	↓ MOL2 SDF SMILES Flexibase

65575541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (1S)-N-[(2-fluorophenyl)methyl]-…

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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)	1.90	6.01	-39.51	1	4	1	43	250.297	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.90	3.73	-8.89	0	4	0	42	249.289	4	↓ MOL2 SDF SMILES Flexibase

65575556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (1R)-N-[(2-methoxyphenyl)methyl]…

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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)	1.79	5.34	-37.78	1	5	1	53	262.333	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.79	2.85	-8.49	0	5	0	51	261.325	5	↓ MOL2 SDF SMILES Flexibase

65575557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (1S)-N-[(2-methoxyphenyl)methyl]…

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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)	1.79	5.35	-37.27	1	5	1	53	262.333	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.79	3.03	-8.41	0	5	0	51	261.325	5	↓ MOL2 SDF SMILES Flexibase

65591382

Analogs

43403470
43403473
43403496
43403508
43403698

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-methanamine N-benzyl-1-(3-tert-butyl-1,2,4-o…

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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)	2.94	7.13	-44.14	1	4	1	43	260.361	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.94	4.8	-7.48	0	4	0	42	259.353	5	↓ MOL2 SDF SMILES Flexibase

65591486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (1S)-1-(2-chlorophenyl)-N-[(3-et…

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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	5.42	-44.47	2	4	1	56	266.752	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.74	4.43	-6.55	1	4	0	51	265.744	5	↓ MOL2 SDF SMILES Flexibase

65591487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (1R)-1-(2-chlorophenyl)-N-[(3-et…

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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	5.42	-44.17	2	4	1	56	266.752	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.74	4.31	-6.23	1	4	0	51	265.744	5	↓ MOL2 SDF SMILES Flexibase

65591488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(2,4-difluorophenyl)methyl]-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-ethanamine (1R)-N-[(2,4-difluorophenyl)meth…

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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)	3.09	6.99	-43.46	1	4	1	43	296.341	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.09	4.7	-8.83	0	4	0	42	295.333	5	↓ MOL2 SDF SMILES Flexibase

65591489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(2,4-difluorophenyl)methyl]-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-ethanamine (1S)-N-[(2,4-difluorophenyl)meth…

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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)	3.09	7.15	-44.35	1	4	1	43	296.341	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.09	4.86	-9.06	0	4	0	42	295.333	5	↓ MOL2 SDF SMILES Flexibase

65591534

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-chlorophenyl)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (1S)-1-(4-chlorophenyl)-N-[(3-is…

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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)	3.27	5.94	-50.27	2	4	1	56	280.779	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.27	4.8	-7.07	1	4	0	51	279.771	5	↓ MOL2 SDF SMILES Flexibase

65591536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-chlorophenyl)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (1R)-1-(4-chlorophenyl)-N-[(3-is…

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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)	3.27	5.91	-50.17	2	4	1	56	280.779	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.27	4.81	-7.71	1	4	0	51	279.771	5	↓ MOL2 SDF SMILES Flexibase

65606540

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chlorophenyl)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (1S)-1-(2-chlorophenyl)-N-[(3-is…

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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)	3.22	5.87	-44.26	2	4	1	56	280.779	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.22	4.7	-6.11	1	4	0	51	279.771	5	↓ MOL2 SDF SMILES Flexibase

65606543

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-chlorophenyl)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (1R)-1-(2-chlorophenyl)-N-[(3-is…

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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)	3.22	5.86	-44.1	2	4	1	56	280.779	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.22	4.86	-6.46	1	4	0	51	279.771	5	↓ MOL2 SDF SMILES Flexibase

69770153

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl-methyl-amino]methyl]-2-methoxy-phenol 4-[[(3-isobutyl-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)	1.88	4.88	-52.28	2	6	1	73	306.386	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.88	2.5	-10.9	1	6	0	72	305.378	7	↓ MOL2 SDF SMILES Flexibase

40444737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-isopropoxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine N-[(3-isopropoxyphenyl)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)	1.75	4.56	-50.39	2	5	1	65	262.333	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.75	3.2	-9.31	1	5	0	60	261.325	6	↓ MOL2 SDF SMILES Flexibase

70198478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2,2,2-trifluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenyl-ethanamine (1S)-2,2,2-trifluoro-N-[(3-methy…

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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)	2.08	3.47	-8.55	1	4	0	51	271.242	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.08	4.63	-45.86	2	4	1	56	272.25	5	↓ MOL2 SDF SMILES Flexibase

70198479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2,2,2-trifluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenyl-ethanamine (1R)-2,2,2-trifluoro-N-[(3-methy…

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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)	2.08	3.49	-8.32	1	4	0	51	271.242	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.08	4.63	-45.62	2	4	1	56	272.25	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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<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', {
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