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ZINC Item

Suppliers, Protomers, & Similar Substances

2569107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ethyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate Ethyl 1-(chloromethyl)-1H-pyrazo…

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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)	1.43	1.97	-10.15	0	4	0	44	188.614	4	↓ MOL2 SDF SMILES Flexibase

2534849

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(4-chloro-2-fluorophenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(4-chloro…

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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)	2.43	3.83	-7.22	2	4	0	53	241.653	3	↓ MOL2 SDF SMILES Flexibase

2534850

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(3-chloro-4-fluorophenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(3-chloro…

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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)	2.43	3.81	-7.36	2	4	0	53	241.653	3	↓ MOL2 SDF SMILES Flexibase

2534851

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(2-chloro-4-fluorophenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(2-chloro…

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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)	2.43	3.87	-6.84	2	4	0	53	241.653	3	↓ MOL2 SDF SMILES Flexibase

2534852

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(4-chloro-2-methylphenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(4-chloro…

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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)	2.72	4.5	-6.14	2	4	0	53	237.69	3	↓ MOL2 SDF SMILES Flexibase

2534853

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(2-chloro-5-methylphenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(2-chloro…

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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)	2.72	4.46	-6.89	2	4	0	53	237.69	3	↓ MOL2 SDF SMILES Flexibase

2534854

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(4-chloro-3-methylphenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(4-chloro…

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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)	2.72	4.34	-6.27	2	4	0	53	237.69	3	↓ MOL2 SDF SMILES Flexibase

2534856

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(2-methoxy-4-methylphenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(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)	1.70	3.78	-8.56	2	5	0	62	233.271	4	↓ MOL2 SDF SMILES Flexibase

2534859

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[[4-(1-methylethyl)phenoxy]methyl]- 1H-pyrazol-3-amine, 1-[[4-(1-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)	3.18	5.17	-6.06	2	4	0	53	231.299	4	↓ MOL2 SDF SMILES Flexibase

2534860

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[[(2,3-dihydro-1H-inden-5-yl)oxy]methyl]- 1H-pyrazol-3-amine, 1-[[(2,3-dih…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.08	5.15	-6.62	2	4	0	53	229.283	3	↓ MOL2 SDF SMILES Flexibase

2534861

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(2,4-difluorophenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(2,4-difl…

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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)	1.92	3.37	-7.56	2	4	0	53	225.198	3	↓ MOL2 SDF SMILES Flexibase

2534863

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(4-chlorophenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(4-chloro…

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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	3.76	-6.22	2	4	0	53	223.663	3	↓ MOL2 SDF SMILES Flexibase

2534864

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(3-chlorophenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(3-chloro…

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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	3.76	-6.59	2	4	0	53	223.663	3	↓ MOL2 SDF SMILES Flexibase

2534865

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(2-chlorophenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(2-chloro…

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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)	2.29	3.8	-7.18	2	4	0	53	223.663	3	↓ MOL2 SDF SMILES Flexibase

2534867

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(4-methoxyphenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(4-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)	1.72	2.52	-7.43	2	5	0	62	219.244	4	↓ MOL2 SDF SMILES Flexibase

2534868

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(3-methoxyphenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(3-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)	1.70	2.53	-7.96	2	5	0	62	219.244	4	↓ MOL2 SDF SMILES Flexibase

2534869

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(3,5-dimethylphenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(3,5-dime…

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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	4.57	-6.5	2	4	0	53	217.272	3	↓ MOL2 SDF SMILES Flexibase

2534870

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(2,5-dimethylphenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(2,5-dime…

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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	4.66	-6.44	2	4	0	53	217.272	3	↓ MOL2 SDF SMILES Flexibase

2534871

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(2,4-dimethylphenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(2,4-dime…

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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	4.66	-6.41	2	4	0	53	217.272	3	↓ MOL2 SDF SMILES Flexibase

2534873

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(3,4-dimethylphenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(3,4-dime…

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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	4.45	-6.56	2	4	0	53	217.272	3	↓ MOL2 SDF SMILES Flexibase

2534874

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(4-ethylphenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(4-ethylp…

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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)	2.58	4.68	-6.13	2	4	0	53	217.272	4	↓ MOL2 SDF SMILES Flexibase

2534875

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(4-fluorophenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(4-fluoro…

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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)	1.83	3.31	-6.74	2	4	0	53	207.208	3	↓ MOL2 SDF SMILES Flexibase

2534876

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(3-fluorophenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(3-fluoro…

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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)	1.80	3.3	-7.13	2	4	0	53	207.208	3	↓ MOL2 SDF SMILES Flexibase

2534878

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(2-methylphenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(2-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)	2.06	3.99	-6.43	2	4	0	53	203.245	3	↓ MOL2 SDF SMILES Flexibase

2534879

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(3-methylphenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(3-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)	2.09	3.91	-6.52	2	4	0	53	203.245	3	↓ MOL2 SDF SMILES Flexibase

2534880

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(4-methylphenoxy)methyl]- 1H-pyrazol-3-amine, 1-[(4-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)	2.11	3.91	-6.35	2	4	0	53	203.245	3	↓ MOL2 SDF SMILES Flexibase

2534912

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(2-methoxy-4-methylphenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	2.31	4.31	-7.52	2	5	0	62	267.716	4	↓ MOL2 SDF SMILES Flexibase

2534913

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(1,3-benzodioxol-5-yloxy)methyl]-4-chloro- 1H-pyrazol-3-amine, 1-[(1,3-benz…

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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)	2.16	2.4	-8.39	2	6	0	72	267.672	3	↓ MOL2 SDF SMILES Flexibase

2534915

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[[4-(1-methylethyl)phenoxy]methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	3.78	5.69	-5.02	2	4	0	53	265.744	4	↓ MOL2 SDF SMILES Flexibase

2534916

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[[(2,3-dihydro-1H-inden-5-yl)oxy]methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	2.69	-1.67	-5.66	2	4	0	53	263.728	3	↓ MOL2 SDF SMILES Flexibase

2534917

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(2,4-difluorophenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	2.52	3.89	-7.15	2	4	0	53	259.643	3	↓ MOL2 SDF SMILES Flexibase

2534919

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(4-chlorophenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	2.95	4.28	-5.47	2	4	0	53	258.108	3	↓ MOL2 SDF SMILES Flexibase

2534920

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(3-chlorophenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	2.92	4.28	-5.56	2	4	0	53	258.108	3	↓ MOL2 SDF SMILES Flexibase

2534922

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(2-methoxyphenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	1.88	3.64	-7.68	2	5	0	62	253.689	4	↓ MOL2 SDF SMILES Flexibase

2534923

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(4-methoxyphenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	2.33	3.04	-6.57	2	5	0	62	253.689	4	↓ MOL2 SDF SMILES Flexibase

2534924

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(3-methoxyphenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	2.30	3.06	-7.15	2	5	0	62	253.689	4	↓ MOL2 SDF SMILES Flexibase

2534925

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(3,5-dimethylphenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	3.09	5.09	-5.41	2	4	0	53	251.717	3	↓ MOL2 SDF SMILES Flexibase

2534926

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(2,5-dimethylphenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	3.09	5.18	-5.36	2	4	0	53	251.717	3	↓ MOL2 SDF SMILES Flexibase

2534927

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(2,4-dimethylphenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	3.09	5.18	-5.4	2	4	0	53	251.717	3	↓ MOL2 SDF SMILES Flexibase

2534928

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(3-ethylphenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	3.16	5.2	-5.31	2	4	0	53	251.717	4	↓ MOL2 SDF SMILES Flexibase

2534929

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(3,4-dimethylphenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	3.09	4.97	-5.57	2	4	0	53	251.717	3	↓ MOL2 SDF SMILES Flexibase

2534930

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(4-ethylphenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	3.18	5.2	-5.21	2	4	0	53	251.717	4	↓ MOL2 SDF SMILES Flexibase

2534931

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(4-fluorophenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	2.43	3.83	-6.03	2	4	0	53	241.653	3	↓ MOL2 SDF SMILES Flexibase

2534932

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(3-fluorophenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	2.41	3.83	-6.03	2	4	0	53	241.653	3	↓ MOL2 SDF SMILES Flexibase

2534934

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(2-methylphenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	2.67	4.51	-5.4	2	4	0	53	237.69	3	↓ MOL2 SDF SMILES Flexibase

2534935

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(3-methylphenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	2.69	4.44	-5.49	2	4	0	53	237.69	3	↓ MOL2 SDF SMILES Flexibase

2534936

Analogs

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Popular Name: 1H-pyrazol-3-amine, 4-chloro-1-[(4-methylphenoxy)methyl]- 1H-pyrazol-3-amine, 4-chloro-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)	2.72	4.44	-5.4	2	4	0	53	237.69	3	↓ MOL2 SDF SMILES Flexibase

2534961

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(4-chloro-2-fluorophenoxy)methyl]-5-methyl- 1H-pyrazol-3-amine, 1-[(4-chloro…

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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	4.32	-10.93	2	4	0	53	255.68	3	↓ MOL2 SDF SMILES Flexibase

2534962

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-pyrazol-3-amine, 1-[(3-chloro-4-fluorophenoxy)methyl]-5-methyl- 1H-pyrazol-3-amine, 1-[(3-chloro…

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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	4.28	-10.11	2	4	0	53	255.68	3	↓ MOL2 SDF SMILES Flexibase

2534963

Analogs

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Popular Name: 1H-pyrazol-3-amine, 1-[(2-chloro-4-fluorophenoxy)methyl]-5-methyl- 1H-pyrazol-3-amine, 1-[(2-chloro…

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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	4.35	-10.15	2	4	0	53	255.68	3	↓ MOL2 SDF SMILES Flexibase

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