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ZINC Item

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69794421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 5-chloro-2-methyl-N-[(4-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)	3.17	4.93	-8.07	1	4	0	51	237.69	3	↓ MOL2 SDF SMILES Flexibase

69794427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethynyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 3-ethynyl-N-[(4-methyl-1,2,5-oxa…

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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)	1.85	4.82	-10.69	1	4	0	51	213.24	3	↓ MOL2 SDF SMILES Flexibase

69794429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 3-methyl-N-[(4-methyl-1,2,5-oxad…

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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)	2.54	4.3	-8.14	1	4	0	51	203.245	3	↓ MOL2 SDF SMILES Flexibase

69794431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2,4-dimethyl-N-[(4-methyl-1,2,5-…

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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	5.09	-8.05	1	4	0	51	217.272	3	↓ MOL2 SDF SMILES Flexibase

69794459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dichloro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2,5-dichloro-N-[(4-methyl-1,2,5-…

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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)	3.40	4.72	-8.17	1	4	0	51	258.108	3	↓ MOL2 SDF SMILES Flexibase

69794461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanyl-aniline N-[(4-methyl-1,2,5-oxadiazol-3-y…

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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)	2.52	4.65	-9.81	1	4	0	51	235.312	4	↓ MOL2 SDF SMILES Flexibase

69794463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 3-chloro-4-methyl-N-[(4-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)	3.17	4.73	-8.25	1	4	0	51	237.69	3	↓ MOL2 SDF SMILES Flexibase

69794469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2-bromo-4-methyl-N-[(4-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)	3.30	5.01	-9.02	1	4	0	51	282.141	3	↓ MOL2 SDF SMILES Flexibase

69794473

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2-methoxy-N-[(4-methyl-1,2,5-oxa…

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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)	2.12	3.04	-9.4	1	5	0	60	219.244	4	↓ MOL2 SDF SMILES Flexibase

69794495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 3-chloro-2-methyl-N-[(4-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)	3.14	4.85	-9.19	1	4	0	51	237.69	3	↓ MOL2 SDF SMILES Flexibase

69794499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2,4-dichloro-N-[(4-methyl-1,2,5-…

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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)	3.40	4.72	-9.66	1	4	0	51	258.108	3	↓ MOL2 SDF SMILES Flexibase

69794500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 4-bromo-2-methyl-N-[(4-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)	3.30	5.03	-8.82	1	4	0	51	282.141	3	↓ MOL2 SDF SMILES Flexibase

69794504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-methylsulfanyl-aniline N-[(4-methyl-1,2,5-oxadiazol-3-y…

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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)	2.55	4.64	-9.38	1	4	0	51	235.312	4	↓ MOL2 SDF SMILES Flexibase

69794510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2,5-difluoro-N-[(4-methyl-1,2,5-…

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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)	2.37	3.79	-8.96	1	4	0	51	225.198	3	↓ MOL2 SDF SMILES Flexibase

69794513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 4-bromo-2-fluoro-N-[(4-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)	3.01	4.34	-10.17	1	4	0	51	286.104	3	↓ MOL2 SDF SMILES Flexibase

69794518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 4-bromo-3-methyl-N-[(4-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)	3.30	4.81	-8.95	1	4	0	51	282.141	3	↓ MOL2 SDF SMILES Flexibase

69794531

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 3,5-dichloro-N-[(4-methyl-1,2,5-…

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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)	3.40	4.65	-8.54	1	4	0	51	258.108	3	↓ MOL2 SDF SMILES Flexibase

69794550

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dichloro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 3,4-dichloro-N-[(4-methyl-1,2,5-…

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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)	3.40	4.6	-10.46	1	4	0	51	258.108	3	↓ MOL2 SDF SMILES Flexibase

69794581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 3,4-difluoro-N-[(4-methyl-1,2,5-…

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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)	2.37	3.74	-12.42	1	4	0	51	225.198	3	↓ MOL2 SDF SMILES Flexibase

69794591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 3,4-dimethyl-N-[(4-methyl-1,2,5-…

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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	4.85	-8.13	1	4	0	51	217.272	3	↓ MOL2 SDF SMILES Flexibase

69794593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 3-chloro-N-[(4-methyl-1,2,5-oxad…

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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)	2.77	4.15	-9.24	1	4	0	51	223.663	3	↓ MOL2 SDF SMILES Flexibase

69794597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 3-fluoro-N-[(4-methyl-1,2,5-oxad…

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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)	2.25	3.7	-10.03	1	4	0	51	207.208	3	↓ MOL2 SDF SMILES Flexibase

69794599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 4-chloro-N-[(4-methyl-1,2,5-oxad…

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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)	2.79	4.14	-8.94	1	4	0	51	223.663	3	↓ MOL2 SDF SMILES Flexibase

69794601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]benzonitrile 2-[(4-methyl-1,2,5-oxadiazol-3-y…

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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)	1.82	4.03	-13.51	1	5	0	75	214.228	3	↓ MOL2 SDF SMILES Flexibase

69794603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]benzonitrile 3-[(4-methyl-1,2,5-oxadiazol-3-y…

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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)	1.84	4.01	-12.87	1	5	0	75	214.228	3	↓ MOL2 SDF SMILES Flexibase

69794604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2-bromo-N-[(4-methyl-1,2,5-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)	2.87	4.34	-9.09	1	4	0	51	268.114	3	↓ MOL2 SDF SMILES Flexibase

69794606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 4-bromo-N-[(4-methyl-1,2,5-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)	2.92	4.25	-8.96	1	4	0	51	268.114	3	↓ MOL2 SDF SMILES Flexibase

69794607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 3-bromo-N-[(4-methyl-1,2,5-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)	2.90	4.25	-9.23	1	4	0	51	268.114	3	↓ MOL2 SDF SMILES Flexibase

69794609

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 4-fluoro-N-[(4-methyl-1,2,5-oxad…

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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)	2.28	3.69	-9.8	1	4	0	51	207.208	3	↓ MOL2 SDF SMILES Flexibase

69794611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2-chloro-N-[(4-methyl-1,2,5-oxad…

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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	4.21	-9.1	1	4	0	51	223.663	3	↓ MOL2 SDF SMILES Flexibase

69794619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2-fluoro-N-[(4-methyl-1,2,5-oxad…

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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)	2.23	3.72	-9.91	1	4	0	51	207.208	3	↓ MOL2 SDF SMILES Flexibase

69794632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]benzonitrile 4-[(4-methyl-1,2,5-oxadiazol-3-y…

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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)	1.87	4.04	-13.11	1	5	0	75	214.228	3	↓ MOL2 SDF SMILES Flexibase

69794641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2,4-difluoro-N-[(4-methyl-1,2,5-…

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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)	2.37	3.78	-10.82	1	4	0	51	225.198	3	↓ MOL2 SDF SMILES Flexibase

69794643

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 3,5-dimethyl-N-[(4-methyl-1,2,5-…

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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	4.95	-8.13	1	4	0	51	217.272	3	↓ MOL2 SDF SMILES Flexibase

69794644

Analogs

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Popular Name: 5-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 5-fluoro-2-methyl-N-[(4-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)	2.65	4.49	-8.62	1	4	0	51	221.235	3	↓ MOL2 SDF SMILES Flexibase

69794655

Analogs

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Popular Name: 4-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 4-ethyl-N-[(4-methyl-1,2,5-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)	3.03	5.07	-7.95	1	4	0	51	217.272	4	↓ MOL2 SDF SMILES Flexibase

69794661

Analogs

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Popular Name: 3-fluoro-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 3-fluoro-4-methyl-N-[(4-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)	2.65	4.34	-8.87	1	4	0	51	221.235	3	↓ MOL2 SDF SMILES Flexibase

69794662

Analogs

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Popular Name: 2-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2-ethyl-N-[(4-methyl-1,2,5-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)	2.98	5.17	-7.86	1	4	0	51	217.272	4	↓ MOL2 SDF SMILES Flexibase

69794672

Analogs

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Popular Name: 4-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 4-fluoro-2-methyl-N-[(4-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)	2.65	4.49	-9.69	1	4	0	51	221.235	3	↓ MOL2 SDF SMILES Flexibase

69794674

Analogs

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Popular Name: 3,5-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 3,5-difluoro-N-[(4-methyl-1,2,5-…

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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)	2.37	3.77	-9.43	1	4	0	51	225.198	3	↓ MOL2 SDF SMILES Flexibase

69794676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 3-ethyl-N-[(4-methyl-1,2,5-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)	3.00	5.06	-7.99	1	4	0	51	217.272	4	↓ MOL2 SDF SMILES Flexibase

69794693

Analogs

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Popular Name: 3-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 3-methoxy-N-[(4-methyl-1,2,5-oxa…

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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)	2.15	2.93	-10.14	1	5	0	60	219.244	4	↓ MOL2 SDF SMILES Flexibase

69794694

Analogs

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Popular Name: 2,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2,3-dimethyl-N-[(4-methyl-1,2,5-…

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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)	2.91	4.98	-8.16	1	4	0	51	217.272	3	↓ MOL2 SDF SMILES Flexibase

69794696

Analogs

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Popular Name: 4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 4-methyl-N-[(4-methyl-1,2,5-oxad…

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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)	2.56	4.31	-8.07	1	4	0	51	203.245	3	↓ MOL2 SDF SMILES Flexibase

69794698

Analogs

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Popular Name: 2,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2,5-dimethyl-N-[(4-methyl-1,2,5-…

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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	5.09	-8.08	1	4	0	51	217.272	3	↓ MOL2 SDF SMILES Flexibase

69794699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 4-methoxy-N-[(4-methyl-1,2,5-oxa…

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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)	2.17	2.91	-9.71	1	5	0	60	219.244	4	↓ MOL2 SDF SMILES Flexibase

69794704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2-methyl-N-[(4-methyl-1,2,5-oxad…

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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)	2.51	4.42	-8.02	1	4	0	51	203.245	3	↓ MOL2 SDF SMILES Flexibase

69794721

Analogs

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Popular Name: 2,3-dichloro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2,3-dichloro-N-[(4-methyl-1,2,5-…

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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)	3.37	4.68	-10.81	1	4	0	51	258.108	3	↓ MOL2 SDF SMILES Flexibase

69794726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2-fluoro-4-methyl-N-[(4-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)	2.65	4.4	-9.8	1	4	0	51	221.235	3	↓ MOL2 SDF SMILES Flexibase

69794728

Analogs

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Popular Name: 2-bromo-4-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]aniline 2-bromo-4-fluoro-N-[(4-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)	3.01	4.41	-10.27	1	4	0	51	286.104	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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