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ZINC Item

Suppliers, Protomers, & Similar Substances

2799999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl-methyl-BLAH (4-chloro-3,5-dimethyl-pyrazol-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)	0.92	0.8	-12.87	0	8	0	78	316.756	2	↓ MOL2 SDF SMILES Flexibase

2800077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl-methyl-BLAH (4-bromo-3,5-dimethyl-pyrazol-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)	1.05	0.2	-12.91	0	8	0	78	361.207	2	↓ MOL2 SDF SMILES Flexibase

2800099

Analogs

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Popular Name: methyl-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]BLAH methyl-[[5-methyl-3-(trifluorome…

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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	2.83	-14.46	0	8	0	78	336.281	3	↓ MOL2 SDF SMILES Flexibase

2800216

Analogs

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Popular Name: [(1S)-1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-methyl-BLAH [(1S)-1-(3,5-dimethyl-4-nitro-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)	0.56	8.93	-13.69	0	11	0	125	341.335	3	↓ MOL2 SDF SMILES Flexibase

2800217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-methyl-BLAH [(1R)-1-(3,5-dimethyl-4-nitro-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)	0.56	8.93	-13.64	0	11	0	125	341.335	3	↓ MOL2 SDF SMILES Flexibase

2800281

Analogs

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Popular Name: methyl-[(3-nitropyrazol-1-yl)methyl]BLAH methyl-[(3-nitropyrazol-1-yl)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)	-0.05	8.26	-21.53	0	11	0	125	299.254	3	↓ MOL2 SDF SMILES Flexibase

2800466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-BLAH (3,5-dimethyl-4-nitro-pyrazol-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)	0.20	8.41	-13.85	0	11	0	125	327.308	3	↓ MOL2 SDF SMILES Flexibase

2802126

Analogs

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Popular Name: [(1S)-1-(4-chloropyrazol-1-yl)ethyl]-methyl-BLAH [(1S)-1-(4-chloropyrazol-1-yl)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)	0.84	0.74	-11.3	0	8	0	78	302.729	2	↓ MOL2 SDF SMILES Flexibase

2802127

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(4-chloropyrazol-1-yl)ethyl]-methyl-BLAH [(1R)-1-(4-chloropyrazol-1-yl)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)	0.84	7.43	-11.35	0	8	0	79	302.729	2	↓ MOL2 SDF SMILES Flexibase

2802138

Analogs

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Popular Name: methyl-[(1S)-1-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]BLAH methyl-[(1S)-1-(5-methyl-3-nitro…

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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)	0.54	9.29	-16.3	0	11	0	125	327.308	3	↓ MOL2 SDF SMILES Flexibase

2802139

Analogs

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Popular Name: methyl-[(1R)-1-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]BLAH methyl-[(1R)-1-(5-methyl-3-nitro…

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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)	0.54	9.29	-16.23	0	11	0	125	327.308	3	↓ MOL2 SDF SMILES Flexibase

2802167

Analogs

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Popular Name: methyl-[(1S)-1-(4-nitropyrazol-1-yl)propyl]BLAH methyl-[(1S)-1-(4-nitropyrazol-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)	0.62	8.14	-11.34	0	11	0	125	327.308	4	↓ MOL2 SDF SMILES Flexibase

2802168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[(1R)-1-(4-nitropyrazol-1-yl)propyl]BLAH methyl-[(1R)-1-(4-nitropyrazol-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)	0.62	8.62	-11.4	0	11	0	125	327.308	4	↓ MOL2 SDF SMILES Flexibase

2802183

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloropyrazol-1-yl)methyl-methyl-BLAH (4-chloropyrazol-1-yl)methyl-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)	0.47	0.62	-13.37	0	8	0	78	288.702	2	↓ MOL2 SDF SMILES Flexibase

2802189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(4-bromopyrazol-1-yl)ethyl]-methyl-BLAH [(1S)-1-(4-bromopyrazol-1-yl)eth…

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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)	0.97	7.53	-11.32	0	8	0	79	347.18	2	↓ MOL2 SDF SMILES Flexibase

2802190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(4-bromopyrazol-1-yl)ethyl]-methyl-BLAH [(1R)-1-(4-bromopyrazol-1-yl)eth…

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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)	0.97	0.12	-11.3	0	8	0	78	347.18	2	↓ MOL2 SDF SMILES Flexibase

2802218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-methyl-BLAH [(1S)-1-(4-bromo-3,5-dimethyl-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)	1.41	0.48	-11.77	0	8	0	78	375.234	2	↓ MOL2 SDF SMILES Flexibase

2802219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-methyl-BLAH [(1R)-1-(4-bromo-3,5-dimethyl-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)	1.41	0.48	-11.71	0	8	0	78	375.234	2	↓ MOL2 SDF SMILES Flexibase

2802227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[(5-methylpyrazol-1-yl)methyl]BLAH methyl-[(5-methylpyrazol-1-yl)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)	0.09	0.82	-11.96	0	8	0	78	268.284	2	↓ MOL2 SDF SMILES Flexibase

2802228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-3-methyl-pyrazol-1-yl)methyl-methyl-BLAH (4-chloro-3-methyl-pyrazol-1-yl)…

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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)	0.70	0.72	-13.72	0	8	0	78	302.729	2	↓ MOL2 SDF SMILES Flexibase

2802233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromo-3-methyl-pyrazol-1-yl)methyl-methyl-BLAH (4-bromo-3-methyl-pyrazol-1-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)	0.83	0.11	-13.6	0	8	0	78	347.18	2	↓ MOL2 SDF SMILES Flexibase

2802237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[(1S)-1-(5-methyl-3-nitro-pyrazol-1-yl)propyl]BLAH methyl-[(1S)-1-(5-methyl-3-nitro…

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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)	1.04	9.73	-15.94	0	11	0	125	341.335	4	↓ MOL2 SDF SMILES Flexibase

2802238

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[(1R)-1-(5-methyl-3-nitro-pyrazol-1-yl)propyl]BLAH methyl-[(1R)-1-(5-methyl-3-nitro…

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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)	1.04	10.18	-15.99	0	11	0	125	341.335	4	↓ MOL2 SDF SMILES Flexibase

2802326

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methoxy-4-nitro-pyrazol-1-yl)methyl-methyl-BLAH (3-methoxy-4-nitro-pyrazol-1-yl)…

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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)	-0.06	0	-20.16	0	12	0	133	329.28	4	↓ MOL2 SDF SMILES Flexibase

2802327

Analogs

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Popular Name: methyl-[(1S)-1-(3-methylpyrazol-1-yl)ethyl]BLAH methyl-[(1S)-1-(3-methylpyrazol-…

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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)	0.45	1.01	-12.97	0	8	0	78	282.311	2	↓ MOL2 SDF SMILES Flexibase

2802328

Analogs

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Popular Name: methyl-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]BLAH methyl-[(1R)-1-(3-methylpyrazol-…

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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)	0.45	1.01	-12.93	0	8	0	78	282.311	2	↓ MOL2 SDF SMILES Flexibase

2802363

Analogs

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Popular Name: [4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl-methyl-BLAH [4-chloro-5-methyl-3-(trifluorom…

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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	2.67	-12.48	0	8	0	78	370.726	3	↓ MOL2 SDF SMILES Flexibase

2802404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]-methyl-BLAH [(1S)-1-(4-chloro-3,5-dimethyl-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)	1.28	1.08	-11.76	0	8	0	78	330.783	2	↓ MOL2 SDF SMILES Flexibase

2802405

Analogs

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Popular Name: [(1R)-1-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]-methyl-BLAH [(1R)-1-(4-chloro-3,5-dimethyl-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)	1.28	1.08	-11.73	0	8	0	78	330.783	2	↓ MOL2 SDF SMILES Flexibase

2802415

Analogs

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Popular Name: (3,5-dimethylpyrazol-1-yl)methyl-methyl-BLAH (3,5-dimethylpyrazol-1-yl)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)	0.31	0.96	-13.84	0	8	0	78	282.311	2	↓ MOL2 SDF SMILES Flexibase

2802422

Analogs

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Popular Name: (4-bromopyrazol-1-yl)methyl-methyl-BLAH (4-bromopyrazol-1-yl)methyl-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)	0.61	0	-13.33	0	8	0	78	333.153	2	↓ MOL2 SDF SMILES Flexibase

2802436

Analogs

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Popular Name: [(1S)-1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-methyl-BLAH [(1S)-1-[4-chloro-5-methyl-3-(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)	2.19	2.89	-12.61	0	8	0	78	384.753	3	↓ MOL2 SDF SMILES Flexibase

2802437

Analogs

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Popular Name: [(1R)-1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-methyl-BLAH [(1R)-1-[4-chloro-5-methyl-3-(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)	2.19	2.95	-12.59	0	8	0	78	384.753	3	↓ MOL2 SDF SMILES Flexibase

2802468

Analogs

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Popular Name: [(1S)-1-(4-chloropyrazol-1-yl)propyl]-methyl-BLAH [(1S)-1-(4-chloropyrazol-1-yl)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)	1.34	0.8	-9.42	0	8	0	78	316.756	3	↓ MOL2 SDF SMILES Flexibase

2802469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(4-chloropyrazol-1-yl)propyl]-methyl-BLAH [(1R)-1-(4-chloropyrazol-1-yl)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)	1.34	1.13	-9.41	0	8	0	78	316.756	3	↓ MOL2 SDF SMILES Flexibase

2802513

Analogs

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Popular Name: [(1S)-1-(4-bromopyrazol-1-yl)propyl]-methyl-BLAH [(1S)-1-(4-bromopyrazol-1-yl)pro…

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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	0.18	-9.31	0	8	0	78	361.207	3	↓ MOL2 SDF SMILES Flexibase

2802514

Analogs

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Popular Name: [(1R)-1-(4-bromopyrazol-1-yl)propyl]-methyl-BLAH [(1R)-1-(4-bromopyrazol-1-yl)pro…

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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	0.52	-9.33	0	8	0	78	361.207	3	↓ MOL2 SDF SMILES Flexibase

2802545

Analogs

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Popular Name: [4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl-methyl-BLAH [4-bromo-5-methyl-3-(trifluorome…

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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)	1.96	8.65	-12.49	0	8	0	79	415.177	3	↓ MOL2 SDF SMILES Flexibase

2802586

Analogs

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Popular Name: [(1S)-1-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-methyl-BLAH [(1S)-1-(4-chloro-3,5-dimethyl-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)	1.78	1.07	-11.52	0	8	0	78	344.81	3	↓ MOL2 SDF SMILES Flexibase

2802587

Analogs

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Popular Name: [(1R)-1-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-methyl-BLAH [(1R)-1-(4-chloro-3,5-dimethyl-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)	1.78	1.39	-11.39	0	8	0	78	344.81	3	↓ MOL2 SDF SMILES Flexibase

2802645

Analogs

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Popular Name: [3-(difluoromethyl)-5-methyl-pyrazol-1-yl]methyl-methyl-BLAH [3-(difluoromethyl)-5-methyl-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)	0.87	2.2	-14.75	0	8	0	78	318.291	3	↓ MOL2 SDF SMILES Flexibase

2802660

Analogs

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Popular Name: methyl-[(1S)-1-(3-methyl-4-nitro-pyrazol-1-yl)ethyl]BLAH methyl-[(1S)-1-(3-methyl-4-nitro…

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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)	0.34	8.11	-13.41	0	11	0	125	327.308	3	↓ MOL2 SDF SMILES Flexibase

2802661

Analogs

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Popular Name: methyl-[(1R)-1-(3-methyl-4-nitro-pyrazol-1-yl)ethyl]BLAH methyl-[(1R)-1-(3-methyl-4-nitro…

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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)	0.34	8.11	-13.37	0	11	0	125	327.308	3	↓ MOL2 SDF SMILES Flexibase

2802682

Analogs

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Popular Name: methyl-[(1S)-1-(4-nitropyrazol-1-yl)ethyl]BLAH methyl-[(1S)-1-(4-nitropyrazol-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)	0.12	7.64	-13.59	0	11	0	125	313.281	3	↓ MOL2 SDF SMILES Flexibase

2802683

Analogs

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Popular Name: methyl-[(1R)-1-(4-nitropyrazol-1-yl)ethyl]BLAH methyl-[(1R)-1-(4-nitropyrazol-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)	0.12	7.64	-13.59	0	11	0	125	313.281	3	↓ MOL2 SDF SMILES Flexibase

2802689

Analogs

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Popular Name: methyl-[(4-methylpyrazol-1-yl)methyl]BLAH methyl-[(4-methylpyrazol-1-yl)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)	0.25	1.1	-13.27	0	8	0	78	268.284	2	↓ MOL2 SDF SMILES Flexibase

2802757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[1-methyl-1-(4-nitropyrazol-1-yl)ethyl]BLAH methyl-[1-methyl-1-(4-nitropyraz…

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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)	0.56	8.57	-14.54	0	11	0	125	327.308	3	↓ MOL2 SDF SMILES Flexibase

2802791

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3,5-bis(difluoromethyl)pyrazol-1-yl]methyl-methyl-BLAH [3,5-bis(difluoromethyl)pyrazol-…

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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	8.22	-16.06	0	8	0	79	354.271	4	↓ MOL2 SDF SMILES Flexibase

2802882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]BLAH methyl-[(5-methyl-3-nitro-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)	0.17	8.77	-18.08	0	11	0	125	313.281	3	↓ MOL2 SDF SMILES Flexibase

2802907

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[(3-methyl-4-nitro-pyrazol-1-yl)methyl]BLAH methyl-[(3-methyl-4-nitro-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)	-0.02	7.76	-16.48	0	11	0	125	313.281	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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