ZINC 12

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)	2.58	6.93	-9.42	1	6	0	76	294.742	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.58	7.05	-32.25	2	6	1	77	295.75	4	↓ MOL2 SDF SMILES Flexibase

35625286

Analogs

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Popular Name: N-[(1S)-1-(2,4-dichlorophenyl)propyl]-1,3,5-trimethyl-pyrazol-4-amine N-[(1S)-1-(2,4-dichlorophenyl)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)	4.36	8.03	-6.37	1	3	0	30	312.244	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.36	8.15	-27.15	2	3	1	31	313.252	4	↓ MOL2 SDF SMILES Flexibase

35625288

Analogs

37787342
37787343

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Popular Name: N-[(1R)-1-(2,4-dichlorophenyl)propyl]-1,3,5-trimethyl-pyrazol-4-amine N-[(1R)-1-(2,4-dichlorophenyl)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)	4.36	8.27	-6.42	1	3	0	30	312.244	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.36	8.39	-28.77	2	3	1	31	313.252	4	↓ MOL2 SDF SMILES Flexibase

35628843

Analogs

37787335
37787336
37787358
37787359
37787660

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-[(1R)-1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]phenol 4-methyl-2-[(1R)-1-[(1,3,5-trime…

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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	4.37	-8.97	2	4	0	50	259.353	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.94	4.49	-28.57	3	4	1	51	260.361	3	↓ MOL2 SDF SMILES Flexibase

35628844

Analogs

37787335
37787336
37787358
37787359
37787660

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-[(1S)-1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]phenol 4-methyl-2-[(1S)-1-[(1,3,5-trime…

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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	4.66	-7.68	2	4	0	50	259.353	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.94	4.78	-28.1	3	4	1	51	260.361	3	↓ MOL2 SDF SMILES Flexibase

20003623

Analogs

37787625

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Popular Name: 1,3,5-trimethyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-4-amine 1,3,5-trimethyl-N-[[4-(trifluoro…

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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)	6.00	7.39	-6.95	1	3	0	30	315.364	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.00	7.49	-31.04	2	3	1	31	316.372	5	↓ MOL2 SDF SMILES Flexibase

37090273

Analogs

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Popular Name: 2-[(1R)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]-5-methyl-phenol 2-[(1R)-1-[[1-(2-methoxyethyl)py…

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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)	2.48	3.51	-7.25	2	5	0	59	275.352	6	↓ MOL2 SDF SMILES Flexibase

37090274

Analogs

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Popular Name: 2-[(1S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]-5-methyl-phenol 2-[(1S)-1-[[1-(2-methoxyethyl)py…

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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)	2.48	3.49	-7.71	2	5	0	59	275.352	6	↓ MOL2 SDF SMILES Flexibase

37090275

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(1R)-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)	3.32	7.35	-6	1	4	0	39	287.407	6	↓ MOL2 SDF SMILES Flexibase

37090276

Analogs

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Popular Name: 1-(2-methoxyethyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(1S)-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)	3.32	7.3	-5.99	1	4	0	39	287.407	6	↓ MOL2 SDF SMILES Flexibase

37090279

Analogs

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Popular Name: N-[(1S)-1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1S)-1-(4-chlorophenyl)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)	3.85	7.04	-5.59	1	4	0	39	307.825	8	↓ MOL2 SDF SMILES Flexibase

37090280

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1R)-1-(4-chlorophenyl)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)	3.85	7.05	-5.64	1	4	0	39	307.825	8	↓ MOL2 SDF SMILES Flexibase

37090283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenol 4-methoxy-2-[[[1-(2-methoxyethyl…

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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)	1.53	1.3	-8.18	2	6	0	69	277.324	7	↓ MOL2 SDF SMILES Flexibase

37090284

Analogs

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Popular Name: 5-methoxy-2-[(1S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]phenol 5-methoxy-2-[(1S)-1-[[1-(2-metho…

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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)	2.09	2.12	-9.25	2	6	0	69	291.351	7	↓ MOL2 SDF SMILES Flexibase

37090285

Analogs

20350422
20352789

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-2-[(1R)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]phenol 5-methoxy-2-[(1R)-1-[[1-(2-metho…

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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)	2.09	2.14	-8.83	2	6	0	69	291.351	7	↓ MOL2 SDF SMILES Flexibase

37090290

Analogs

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Popular Name: 1-(2-methoxyethyl)-N-[(1S)-1-(3-nitrophenyl)ethyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(1S)-1-(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)	2.05	6.29	-11	1	7	0	85	290.323	7	↓ MOL2 SDF SMILES Flexibase

37090291

Analogs

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Popular Name: 1-(2-methoxyethyl)-N-[(1R)-1-(3-nitrophenyl)ethyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(1R)-1-(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)	2.05	6.29	-10.92	1	7	0	85	290.323	7	↓ MOL2 SDF SMILES Flexibase

37090298

Analogs

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Popular Name: 1-(2-methoxyethyl)-N-[(3-nitrophenyl)methyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(3-nitroph…

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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	5.56	-10.87	1	7	0	85	276.296	7	↓ MOL2 SDF SMILES Flexibase

37090299

Analogs

35780154

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Popular Name: 1-(2-methoxyethyl)-N-[(4-nitrophenyl)methyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(4-nitroph…

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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)	1.51	5.56	-10.1	1	7	0	85	276.296	7	↓ MOL2 SDF SMILES Flexibase

37090300

Analogs

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Popular Name: 1-(2-methoxyethyl)-N-[(2-nitrophenyl)methyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(2-nitroph…

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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	5.55	-11.23	1	7	0	85	276.296	7	↓ MOL2 SDF SMILES Flexibase

37090311

Analogs

20350435

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-allyloxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(4-allyloxyphenyl)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)	2.26	5.65	-6.77	1	5	0	48	287.363	9	↓ MOL2 SDF SMILES Flexibase

37090312

Analogs

20350435
20350436
20350430

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Popular Name: 1-(2-methoxyethyl)-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(4-propoxy…

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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)	2.49	5.87	-6.41	1	5	0	48	289.379	9	↓ MOL2 SDF SMILES Flexibase

37090313

Analogs

20350415

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-N-[(2-prop-2-ynoxyphenyl)methyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(2-prop-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)	1.72	5.66	-8.34	1	5	0	48	285.347	8	↓ MOL2 SDF SMILES Flexibase

37090315

Analogs

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Popular Name: 1-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(4-methyls…

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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	5.87	-6.45	1	4	0	39	277.393	7	↓ MOL2 SDF SMILES Flexibase

37090322

Analogs

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Popular Name: N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1S)-1-(3-chloro-4-fluoro-phe…

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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)	2.88	6.14	-7.4	1	4	0	39	297.761	6	↓ MOL2 SDF SMILES Flexibase

37090323

Analogs

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Popular Name: N-[(1R)-1-(3-chloro-4-fluoro-phenyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1R)-1-(3-chloro-4-fluoro-phe…

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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)	2.88	6.15	-7.35	1	4	0	39	297.761	6	↓ MOL2 SDF SMILES Flexibase

37090325

Analogs

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Popular Name: N-[(2,5-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(2,5-difluorophenyl)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)	1.81	4.94	-6.31	1	4	0	39	267.279	6	↓ MOL2 SDF SMILES Flexibase

37090326

Analogs

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Popular Name: 1-(2-methoxyethyl)-N-[(1S)-1-(4-nitrophenyl)ethyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(1S)-1-(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)	2.07	6.3	-10.38	1	7	0	85	290.323	7	↓ MOL2 SDF SMILES Flexibase

37090327

Analogs

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Popular Name: 1-(2-methoxyethyl)-N-[(1R)-1-(4-nitrophenyl)ethyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(1R)-1-(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)	2.07	6.3	-10.38	1	7	0	85	290.323	7	↓ MOL2 SDF SMILES Flexibase

37090328

Analogs

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Popular Name: N-[(1R)-1-(4-ethylphenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1R)-1-(4-ethylphenyl)propyl]…

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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)	3.53	7.23	-5.2	1	4	0	39	287.407	8	↓ MOL2 SDF SMILES Flexibase

37090329

Analogs

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Popular Name: N-[(1S)-1-(4-ethylphenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1S)-1-(4-ethylphenyl)propyl]…

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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)	3.53	7.23	-5.17	1	4	0	39	287.407	8	↓ MOL2 SDF SMILES Flexibase

37090347

Analogs

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Popular Name: 1-(2-methoxyethyl)-N-[(1S)-1-phenylbutyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(1S)-1-phe…

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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	6.52	-5.22	1	4	0	39	273.38	8	↓ MOL2 SDF SMILES Flexibase

37090348

Analogs

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Popular Name: 1-(2-methoxyethyl)-N-[(1R)-1-phenylbutyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(1R)-1-phe…

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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	6.52	-5.29	1	4	0	39	273.38	8	↓ MOL2 SDF SMILES Flexibase

37090349

Analogs

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Popular Name: N-[(2,3-dichlorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(2,3-dichlorophenyl)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)	2.82	5.72	-6.93	1	4	0	39	300.189	6	↓ MOL2 SDF SMILES Flexibase

37090351

Analogs

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Popular Name: N-[(1S)-1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1S)-1-(4-bromophenyl)propyl]…

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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	6.42	-5.68	1	4	0	39	338.249	7	↓ MOL2 SDF SMILES Flexibase

37090352

Analogs

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Popular Name: N-[(1R)-1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1R)-1-(4-bromophenyl)propyl]…

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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	6.41	-5.66	1	4	0	39	338.249	7	↓ MOL2 SDF SMILES Flexibase

37090353

Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1R)-1-(2,5-dimethylphenyl)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)	2.94	6.81	-5.9	1	4	0	39	273.38	6	↓ MOL2 SDF SMILES Flexibase

37090354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1S)-1-(2,5-dimethylphenyl)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)	2.94	6.75	-5.91	1	4	0	39	273.38	6	↓ MOL2 SDF SMILES Flexibase

37090355

Analogs

20350408
20350410

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Popular Name: N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(2,4-dimethylphenyl)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)	2.38	6.23	-5.33	1	4	0	39	259.353	6	↓ MOL2 SDF SMILES Flexibase

37090356

Analogs

20350414
20350410
20350407

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Popular Name: N-[(4-tert-butylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(4-tert-butylphenyl)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)	3.26	7.17	-5.08	1	4	0	39	287.407	7	↓ MOL2 SDF SMILES Flexibase

37090358

Analogs

46927011

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Popular Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(5-bromo-2-fluoro-phenyl)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)	2.46	5.49	-5.84	1	4	0	39	328.185	6	↓ MOL2 SDF SMILES Flexibase

37090359

Analogs

20352739
20352789
20352754

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenol 4-[[[1-(2-methoxyethyl)pyrazol-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)	1.08	1.99	-7.27	2	5	0	59	247.298	6	↓ MOL2 SDF SMILES Flexibase

37090360

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(2-chlorophenyl)methyl]-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)	2.19	5.26	-5.96	1	4	0	39	265.744	6	↓ MOL2 SDF SMILES Flexibase

37090362

Analogs

20351736

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Popular Name: N-[(4-dimethylaminophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(4-dimethylaminophenyl)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)	1.66	5.25	-6.31	1	5	0	42	274.368	7	↓ MOL2 SDF SMILES Flexibase

37090363

Analogs

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Popular Name: N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(4-bromophenyl)methyl]-1-(2-m…

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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)	2.36	5.47	-5.69	1	4	0	39	310.195	6	↓ MOL2 SDF SMILES Flexibase

37090364

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(4-chlorophenyl)methyl]-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)	2.23	5.36	-5.69	1	4	0	39	265.744	6	↓ MOL2 SDF SMILES Flexibase

37090365

Analogs

20352810

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-4-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenol 2-methoxy-4-[[[1-(2-methoxyethyl…

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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)	0.89	1.97	-8.9	2	6	0	69	277.324	7	↓ MOL2 SDF SMILES Flexibase

37090366

Analogs

20350413
20350411

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(4-fluorophenyl)methyl]-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)	1.72	4.91	-6.3	1	4	0	39	249.289	6	↓ MOL2 SDF SMILES Flexibase

37090367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-bromophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(3-bromophenyl)methyl]-1-(2-m…

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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	5.46	-5.78	1	4	0	39	310.195	6	↓ MOL2 SDF SMILES Flexibase

37090368

Analogs

20350420

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(3,4-dimethoxyphenyl)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)	1.20	4.04	-9.28	1	6	0	58	291.351	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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