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ZINC Item

Suppliers, Protomers, & Similar Substances

36972198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(dimethylaminomethyl)-2-methoxy-N-(1H-pyrazol-3-ylmethyl)aniline 5-(dimethylaminomethyl)-2-methox…

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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)	1.60	4.8	-40.38	3	5	1	54	261.349	6	↓ MOL2 SDF SMILES Flexibase

37077098

Analogs

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Popular Name: N-[4-(1H-pyrazol-3-ylmethylamino)phenyl]methanesulfonamide N-[4-(1H-pyrazol-3-ylmethylamino…

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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)	1.05	0.09	-14.32	3	6	0	87	266.326	5	↓ MOL2 SDF SMILES Flexibase

37086866

Analogs

48698813
20350770

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(diethylaminomethyl)-N-(1H-pyrazol-3-ylmethyl)aniline 3-(diethylaminomethyl)-N-(1H-pyr…

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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)	2.35	6.74	-34.22	3	4	1	45	259.377	7	↓ MOL2 SDF SMILES Flexibase

37090985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(diethylaminomethyl)-N-(1H-pyrazol-3-ylmethyl)aniline 2-(diethylaminomethyl)-N-(1H-pyr…

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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	6.99	-31.39	3	4	1	45	259.377	7	↓ MOL2 SDF SMILES Flexibase

69988498

Analogs

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Popular Name: N-[4-[(1-isopropylpyrazol-3-yl)methylamino]phenyl]acetamide N-[4-[(1-isopropylpyrazol-3-yl)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)	1.84	5.06	-12.58	2	5	0	59	272.352	5	↓ MOL2 SDF SMILES Flexibase

69988500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1-isopropylpyrazol-3-yl)methyl]-5-(trifluoromethyl)aniline 2-chloro-N-[(1-isopropylpyrazol-…

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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)	4.12	7.76	-5.87	1	3	0	30	317.742	5	↓ MOL2 SDF SMILES Flexibase

69988503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-isopropylpyrazol-3-yl)methyl]-2,4-dimethoxy-aniline N-[(1-isopropylpyrazol-3-yl)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)	2.66	4.89	-8.83	1	5	0	48	275.352	6	↓ MOL2 SDF SMILES Flexibase

69988505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1-isopropylpyrazol-3-yl)methyl]-2-methoxy-5-methyl-aniline 4-chloro-N-[(1-isopropylpyrazol-…

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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)	3.66	6.68	-7.13	1	4	0	39	293.798	5	↓ MOL2 SDF SMILES Flexibase

69988506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-isopropylpyrazol-3-yl)methyl]-2-(trifluoromethyl)aniline N-[(1-isopropylpyrazol-3-yl)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)	3.47	7.39	-7.66	1	3	0	30	283.297	5	↓ MOL2 SDF SMILES Flexibase

69988508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-isopropylpyrazol-3-yl)methyl]-3-(trifluoromethyl)aniline N-[(1-isopropylpyrazol-3-yl)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)	3.49	7.2	-6.7	1	3	0	30	283.297	5	↓ MOL2 SDF SMILES Flexibase

69988509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(1-isopropylpyrazol-3-yl)methyl]aniline 4-tert-butyl-N-[(1-isopropylpyra…

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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)	4.33	8.51	-5.74	1	3	0	30	271.408	5	↓ MOL2 SDF SMILES Flexibase

69988511

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	5.45	-8.71	1	5	0	48	309.797	6	↓ MOL2 SDF SMILES Flexibase

69988517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(difluoromethylsulfanyl)-N-[(1-isopropylpyrazol-3-yl)methyl]aniline 2-(difluoromethylsulfanyl)-N-[(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)	3.56	7.56	-8.55	1	3	0	30	297.374	6	↓ MOL2 SDF SMILES Flexibase

69988520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-isopropylpyrazol-3-yl)methyl]-3,4-dimethoxy-aniline N-[(1-isopropylpyrazol-3-yl)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)	2.27	5.38	-9.79	1	5	0	48	275.352	6	↓ MOL2 SDF SMILES Flexibase

69988521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethoxy-aniline N-[(1-isopropylpyrazol-3-yl)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)	2.66	4.79	-8.69	1	5	0	48	275.352	6	↓ MOL2 SDF SMILES Flexibase

69988523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-isopropylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline N-[(1-isopropylpyrazol-3-yl)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)	3.52	7.19	-6.38	1	3	0	30	283.297	5	↓ MOL2 SDF SMILES Flexibase

69988524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-isopropylpyrazol-3-yl)methyl]-2,5-dimethoxy-aniline N-[(1-isopropylpyrazol-3-yl)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)	2.66	4.88	-8.79	1	5	0	48	275.352	6	↓ MOL2 SDF SMILES Flexibase

69988526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1-isopropylpyrazol-3-yl)methyl]-2-(trifluoromethyl)aniline 4-chloro-N-[(1-isopropylpyrazol-…

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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)	4.12	7.91	-6.95	1	3	0	30	317.742	5	↓ MOL2 SDF SMILES Flexibase

69988528

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	5.45	-8.76	1	5	0	48	309.797	6	↓ MOL2 SDF SMILES Flexibase

69988529

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-isopropylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)aniline N-[(1-isopropylpyrazol-3-yl)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)	3.59	5.96	-6.19	1	4	0	39	299.296	6	↓ MOL2 SDF SMILES Flexibase

69988536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-isopropylpyrazol-3-yl)methyl]-2-(trifluoromethoxy)aniline N-[(1-isopropylpyrazol-3-yl)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)	3.54	6.09	-6.91	1	4	0	39	299.296	6	↓ MOL2 SDF SMILES Flexibase

69988544

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(1-isopropylpyrazol-3-yl)methylamino]phenyl]acetamide N-[3-[(1-isopropylpyrazol-3-yl)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)	1.82	5.08	-12.25	2	5	0	59	272.352	5	↓ MOL2 SDF SMILES Flexibase

69988545

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-isopropylpyrazol-3-yl)methyl]-4-methylsulfonyl-aniline N-[(1-isopropylpyrazol-3-yl)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)	1.49	3.73	-14.3	1	5	0	64	293.392	5	↓ MOL2 SDF SMILES Flexibase

69988547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-isopropylpyrazol-3-yl)methyl]-3-(trifluoromethoxy)aniline N-[(1-isopropylpyrazol-3-yl)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)	3.57	5.98	-6.32	1	4	0	39	299.296	6	↓ MOL2 SDF SMILES Flexibase

69988550

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1-isopropylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline 2-chloro-N-[(1-isopropylpyrazol-…

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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)	4.10	7.68	-7.17	1	3	0	30	317.742	5	↓ MOL2 SDF SMILES Flexibase

69988552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropoxy-N-[(1-isopropylpyrazol-3-yl)methyl]aniline 4-isopropoxy-N-[(1-isopropylpyra…

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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	7.02	-7.17	1	4	0	39	273.38	6	↓ MOL2 SDF SMILES Flexibase

69988553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1-isopropylpyrazol-3-yl)methyl]-3-(trifluoromethyl)aniline 4-chloro-N-[(1-isopropylpyrazol-…

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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)	4.12	7.6	-7.2	1	3	0	30	317.742	5	↓ MOL2 SDF SMILES Flexibase

69988554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(difluoromethoxy)-N-[(1-isopropylpyrazol-3-yl)methyl]aniline 4-(difluoromethoxy)-N-[(1-isopro…

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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)	3.23	5.74	-8.95	1	4	0	39	281.306	6	↓ MOL2 SDF SMILES Flexibase

69988556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(difluoromethoxy)-N-[(1-isopropylpyrazol-3-yl)methyl]aniline 2-(difluoromethoxy)-N-[(1-isopro…

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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)	3.19	5.87	-9.26	1	4	0	39	281.306	6	↓ MOL2 SDF SMILES Flexibase

69988557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-butyl-N-[(1-isopropylpyrazol-3-yl)methyl]aniline 4-butyl-N-[(1-isopropylpyrazol-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)	4.49	9.18	-5.73	1	3	0	30	271.408	7	↓ MOL2 SDF SMILES Flexibase

69988568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1-isopropylpyrazol-3-yl)methyl]-2-(trifluoromethyl)aniline 4-bromo-N-[(1-isopropylpyrazol-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)	4.25	8	-6.86	1	3	0	30	362.193	5	↓ MOL2 SDF SMILES Flexibase

69988586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-[(1-isopropylpyrazol-3-yl)methyl]-2-(methoxymethyl)aniline 3-bromo-N-[(1-isopropylpyrazol-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)	3.29	6.55	-7.8	1	4	0	39	338.249	6	↓ MOL2 SDF SMILES Flexibase

69988602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1-isopropylpyrazol-3-yl)methyl]-3-(trifluoromethyl)aniline 4-fluoro-N-[(1-isopropylpyrazol-…

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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)	3.61	7.24	-7.83	1	3	0	30	301.287	5	↓ MOL2 SDF SMILES Flexibase

69988610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-isopropylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline N-[(1-isopropylpyrazol-3-yl)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)	3.89	7.7	-6.84	1	3	0	30	297.324	5	↓ MOL2 SDF SMILES Flexibase

69988619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-isopropylpyrazol-3-yl)methyl]-3-[(1R)-1-methylpropoxy]aniline N-[(1-isopropylpyrazol-3-yl)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)	3.90	7.84	-7.45	1	4	0	39	287.407	7	↓ MOL2 SDF SMILES Flexibase

69988620

Analogs

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Popular Name: N-[(1-isopropylpyrazol-3-yl)methyl]-3-[(1S)-1-methylpropoxy]aniline N-[(1-isopropylpyrazol-3-yl)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)	3.90	7.83	-7.12	1	4	0	39	287.407	7	↓ MOL2 SDF SMILES Flexibase

69988622

Analogs

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Popular Name: N-[(1-isopropylpyrazol-3-yl)methyl]-4-propoxy-aniline N-[(1-isopropylpyrazol-3-yl)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)	3.56	7.19	-6.92	1	4	0	39	273.38	7	↓ MOL2 SDF SMILES Flexibase

69988623

Analogs

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Popular Name: 2,6-diethyl-N-[(1-isopropylpyrazol-3-yl)methyl]aniline 2,6-diethyl-N-[(1-isopropylpyraz…

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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	9.54	-5.34	1	3	0	30	271.408	6	↓ MOL2 SDF SMILES Flexibase

69988639

Analogs

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Popular Name: 2-fluoro-N-[(1-isopropylpyrazol-3-yl)methyl]-5-(trifluoromethyl)aniline 2-fluoro-N-[(1-isopropylpyrazol-…

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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)	3.61	7.27	-6.3	1	3	0	30	301.287	5	↓ MOL2 SDF SMILES Flexibase

69988643

Analogs

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Popular Name: N1,N1-diethyl-N4-[(1-isopropylpyrazol-3-yl)methyl]benzene-1,4-diamine N1,N1-diethyl-N4-[(1-isopropylpy…

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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)	3.48	8.57	-20.53	2	4	0	34	287.431	7	↓ MOL2 SDF SMILES Flexibase

69988648

Analogs

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Popular Name: 2-chloro-N-[(1-isopropylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline 2-chloro-N-[(1-isopropylpyrazol-…

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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)	4.12	7.76	-6.57	1	3	0	30	317.742	5	↓ MOL2 SDF SMILES Flexibase

69988650

Analogs

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Popular Name: 2-tert-butyl-N-[(1-isopropylpyrazol-3-yl)methyl]aniline 2-tert-butyl-N-[(1-isopropylpyra…

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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)	4.28	9.16	-5.88	1	3	0	30	271.408	5	↓ MOL2 SDF SMILES Flexibase

69988684

Analogs

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Popular Name: 3-[N-[(1-isopropylpyrazol-3-yl)methyl]anilino]propanenitrile 3-[N-[(1-isopropylpyrazol-3-yl)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)	2.32	9.31	-9.97	0	4	0	45	268.364	6	↓ MOL2 SDF SMILES Flexibase

69988693

Analogs

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Popular Name: 3-[N-[(1-isopropylpyrazol-3-yl)methyl]anilino]propanethioamide 3-[N-[(1-isopropylpyrazol-3-yl)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)	2.05	7.93	-12.68	2	4	0	47	302.447	7	↓ MOL2 SDF SMILES Flexibase

69988697

Analogs

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Popular Name: 4-[(1-isopropylpyrazol-3-yl)methyl-methyl-amino]benzenecarbothioamide 4-[(1-isopropylpyrazol-3-yl)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)	2.66	7.12	-15.08	2	4	0	47	288.42	5	↓ MOL2 SDF SMILES Flexibase

69988698

Analogs

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Popular Name: 3-[(1-isopropylpyrazol-3-yl)methyl-methyl-amino]benzenecarbothioamide 3-[(1-isopropylpyrazol-3-yl)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)	2.64	7.1	-16.74	2	4	0	47	288.42	5	↓ MOL2 SDF SMILES Flexibase

69988751

Analogs

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Popular Name: N'-hydroxy-4-[(1-isopropylpyrazol-3-yl)methyl-methyl-amino]benzamidine N'-hydroxy-4-[(1-isopropylpyrazo…

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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)	1.18	4.78	-9.86	3	6	0	80	287.367	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.18	4.61	-32.97	4	6	1	81	288.375	5	↓ MOL2 SDF SMILES Flexibase

69988753

Analogs

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Popular Name: N'-hydroxy-3-[(1-isopropylpyrazol-3-yl)methyl-methyl-amino]benzamidine N'-hydroxy-3-[(1-isopropylpyrazo…

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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)	1.16	4.77	-10.92	3	6	0	80	287.367	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.16	4.6	-32.55	4	6	1	81	288.375	5	↓ MOL2 SDF SMILES Flexibase

69988771

Analogs

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Popular Name: 3-[N-[(1-isopropylpyrazol-3-yl)methyl]anilino]propanamidine 3-[N-[(1-isopropylpyrazol-3-yl)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)	2.23	6.5	-37.05	4	5	1	73	286.403	7	↓ MOL2 SDF SMILES Flexibase

69988774

Analogs

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Popular Name: 3-[(1-isopropylpyrazol-3-yl)methyl-methyl-amino]benzamidine 3-[(1-isopropylpyrazol-3-yl)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)	1.23	5.62	-33.63	4	5	1	73	272.376	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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