ZINC 12

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ZINC Item

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52816882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dichlorophenyl)-3-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea 1-(2,4-dichlorophenyl)-3-[(1S)-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)	3.62	8.03	-12.11	2	6	0	71	350.209	3	↓ MOL2 SDF SMILES Flexibase

52816883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dichlorophenyl)-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea 1-(2,4-dichlorophenyl)-3-[(1R)-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)	3.62	8.01	-12	2	6	0	71	350.209	3	↓ MOL2 SDF SMILES Flexibase

52816978

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea 1-[4-chloro-3-(trifluoromethyl)p…

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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)	3.84	8.31	-13.65	2	6	0	71	383.761	4	↓ MOL2 SDF SMILES Flexibase

52816979

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea 1-[4-chloro-3-(trifluoromethyl)p…

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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)	3.84	8.31	-13.46	2	6	0	71	383.761	4	↓ MOL2 SDF SMILES Flexibase

12230477

Analogs

12230481

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-1-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,5-a]pyridin-3-yl)propyl]urea 3-(4-chlorophenyl)-1-[(1R)-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)	3.43	-1.71	-13.39	2	6	0	71	375.885	6	↓ MOL2 SDF SMILES Flexibase

12230481

Analogs

12230477

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-1-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,5-a]pyridin-3-yl)propyl]urea 3-(4-chlorophenyl)-1-[(1S)-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)	3.43	-1.71	-13.42	2	6	0	71	375.885	6	↓ MOL2 SDF SMILES Flexibase

12230486

Analogs

12230489

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-difluorophenyl)-1-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,5-a]pyridin-3-yl)propyl]urea 3-(2,4-difluorophenyl)-1-[(1R)-3…

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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	-0.04	-12.77	2	6	0	71	377.42	6	↓ MOL2 SDF SMILES Flexibase

12230489

Analogs

12230486

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-difluorophenyl)-1-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,5-a]pyridin-3-yl)propyl]urea 3-(2,4-difluorophenyl)-1-[(1S)-3…

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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	-0.04	-12.76	2	6	0	71	377.42	6	↓ MOL2 SDF SMILES Flexibase

12230493

Analogs

12230498

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-4-methyl-phenyl)-3-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,5-a]pyridin-3-yl)propyl]u 1-(3-chloro-4-methyl-phenyl)-3-[…

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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)	3.81	-1.42	-13.25	2	6	0	71	389.912	6	↓ MOL2 SDF SMILES Flexibase

12230498

Analogs

12230493

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-4-methyl-phenyl)-3-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,5-a]pyridin-3-yl)propyl]u 1-(3-chloro-4-methyl-phenyl)-3-[…

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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)	3.81	-1.39	-14.43	2	6	0	71	389.912	6	↓ MOL2 SDF SMILES Flexibase

12230503

Analogs

12230508

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,5-a]pyridin-3-yl)propyl]-1-(m-tolyl)urea 3-[(1R)-3-methylsulfanyl-1-([1,2…

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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)	3.18	-1.24	-13.64	2	6	0	71	355.467	6	↓ MOL2 SDF SMILES Flexibase

12230508

Analogs

12230503

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,5-a]pyridin-3-yl)propyl]-1-(m-tolyl)urea 3-[(1S)-3-methylsulfanyl-1-([1,2…

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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)	3.18	-1.26	-13.78	2	6	0	71	355.467	6	↓ MOL2 SDF SMILES Flexibase

56718146

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-difluoro-4-methoxy-phenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea 1-(3,5-difluoro-4-methoxy-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)	2.02	5.72	-17.52	2	7	0	81	333.298	4	↓ MOL2 SDF SMILES Flexibase

58317064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-(2,4,6-trimethylphenyl)urea 1-[(1R)-2-methyl-1-([1,2,4]triaz…

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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)	3.35	9.56	-12.98	2	6	0	71	351.454	4	↓ MOL2 SDF SMILES Flexibase

58317066

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-(2,4,6-trimethylphenyl)urea 1-[(1S)-2-methyl-1-([1,2,4]triaz…

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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)	3.35	9.73	-13.15	2	6	0	71	351.454	4	↓ MOL2 SDF SMILES Flexibase

58329960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromophenyl)-3-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea 1-(3-bromophenyl)-3-[(1S)-2-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)	3.87	8.75	-14.07	2	6	0	71	388.269	4	↓ MOL2 SDF SMILES Flexibase

58329963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea 1-(3-bromophenyl)-3-[(1R)-2-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)	3.87	8.87	-13.56	2	6	0	71	388.269	4	↓ MOL2 SDF SMILES Flexibase

58343249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(difluoromethoxy)phenyl]-3-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea 1-[4-(difluoromethoxy)phenyl]-3-…

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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)	3.70	7.05	-16.39	2	7	0	81	375.379	6	↓ MOL2 SDF SMILES Flexibase

58343250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(difluoromethoxy)phenyl]-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea 1-[4-(difluoromethoxy)phenyl]-3-…

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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)	3.70	7.02	-16.53	2	7	0	81	375.379	6	↓ MOL2 SDF SMILES Flexibase

66686509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoylamino)benzamide N-isopropyl-2-methyl-5-([1,2,4]t…

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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)	2.02	6.85	-19.54	3	8	0	100	366.425	5	↓ MOL2 SDF SMILES Flexibase

64547554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-isopentyloxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea 1-(3-isopentyloxyphenyl)-3-([1,2…

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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)	3.46	8.51	-16.04	2	7	0	81	353.426	7	↓ MOL2 SDF SMILES Flexibase

65552318

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-cyanophenyl)-3-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea 1-(3-cyanophenyl)-3-[(1S)-2-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)	2.81	8.53	-16.42	2	7	0	95	334.383	4	↓ MOL2 SDF SMILES Flexibase

65552320

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-cyanophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea 1-(3-cyanophenyl)-3-[(1R)-2-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)	2.81	8.55	-17.06	2	7	0	95	334.383	4	↓ MOL2 SDF SMILES Flexibase

65552433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methoxyphenyl)-3-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea 1-(3-methoxyphenyl)-3-[(1S)-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)	3.43	7.33	-14.06	2	7	0	81	339.399	6	↓ MOL2 SDF SMILES Flexibase

65552434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methoxyphenyl)-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea 1-(3-methoxyphenyl)-3-[(1R)-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)	3.43	7.29	-15.9	2	7	0	81	339.399	6	↓ MOL2 SDF SMILES Flexibase

66955870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1S)-2-cyano-1-methyl-ethyl]sulfanylphenyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea 1-[2-[(1S)-2-cyano-1-methyl-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)	1.98	9.17	-23.18	2	7	0	95	366.45	6	↓ MOL2 SDF SMILES Flexibase

66955871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1R)-2-cyano-1-methyl-ethyl]sulfanylphenyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea 1-[2-[(1R)-2-cyano-1-methyl-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)	1.98	9.18	-21.51	2	7	0	95	366.45	6	↓ MOL2 SDF SMILES Flexibase

65565067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methoxyphenyl)-3-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea 1-(3-methoxyphenyl)-3-[(1S)-2-me…

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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)	3.12	6.78	-15.79	2	7	0	81	339.399	5	↓ MOL2 SDF SMILES Flexibase

65565068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methoxyphenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea 1-(3-methoxyphenyl)-3-[(1R)-2-me…

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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)	3.12	6.74	-15.84	2	7	0	81	339.399	5	↓ MOL2 SDF SMILES Flexibase

65565253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-difluorophenyl)-3-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea 1-(2,4-difluorophenyl)-3-[(1S)-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)	3.65	8.2	-11.97	2	6	0	71	345.353	5	↓ MOL2 SDF SMILES Flexibase

65565254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-difluorophenyl)-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea 1-(2,4-difluorophenyl)-3-[(1R)-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)	3.65	8.19	-11.86	2	6	0	71	345.353	5	↓ MOL2 SDF SMILES Flexibase

65568428

Analogs

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Popular Name: 1-(p-tolyl)-3-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea 1-(p-tolyl)-3-[(1S)-1-([1,2,4]tr…

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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)	3.85	8.71	-13.29	2	6	0	71	323.4	5	↓ MOL2 SDF SMILES Flexibase

65568431

Analogs

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Popular Name: 1-(p-tolyl)-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea 1-(p-tolyl)-3-[(1R)-1-([1,2,4]tr…

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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)	3.85	8.67	-13.37	2	6	0	71	323.4	5	↓ MOL2 SDF SMILES Flexibase

65576118

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Popular Name: 1-(2,4-difluorophenyl)-3-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea 1-(2,4-difluorophenyl)-3-[(1S)-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)	3.34	8.32	-11.46	2	6	0	71	345.353	4	↓ MOL2 SDF SMILES Flexibase

65576120

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea 1-(2,4-difluorophenyl)-3-[(1R)-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)	3.34	8.34	-11.77	2	6	0	71	345.353	4	↓ MOL2 SDF SMILES Flexibase

65576129

Analogs

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Popular Name: 1-(4-bromo-2-fluoro-phenyl)-3-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea 1-(4-bromo-2-fluoro-phenyl)-3-[(…

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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)	3.98	8.87	-11.26	2	6	0	71	406.259	4	↓ MOL2 SDF SMILES Flexibase

65576132

Analogs

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Popular Name: 1-(4-bromo-2-fluoro-phenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea 1-(4-bromo-2-fluoro-phenyl)-3-[(…

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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)	3.98	8.88	-11.51	2	6	0	71	406.259	4	↓ MOL2 SDF SMILES Flexibase

66968053

Analogs

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Popular Name: 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea 1-[3-chloro-2-(2-methoxyethoxy)p…

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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)	2.31	6.49	-16.85	2	8	0	90	375.816	7	↓ 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

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 = 3659 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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