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)	-1.07	2.75	-58.27	4	5	1	75	245.306	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.07	2.38	-9.78	3	5	0	73	244.298	4	↓ MOL2 SDF SMILES Flexibase

62837726

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-2-methyl-pyrazole-3-carboxamide N-[(2S)-2-amino-2-phenyl-ethyl]-…

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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)	-1.07	2.74	-57.55	4	5	1	75	245.306	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.07	2.3	-8.57	3	5	0	73	244.298	4	↓ MOL2 SDF SMILES Flexibase

55108403

Analogs

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Popular Name: (2S)-3-(4-hydroxyphenyl)-2-[(3-propyl-1H-pyrazole-5-carbonyl)amino]propanoic (2S)-3-(4-hydroxyphenyl)-2-[(3-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)	0.15	4.19	-51.9	3	7	-1	118	316.337	7	↓ MOL2 SDF SMILES Flexibase

55153008

Analogs

44225617

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Popular Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-3-propyl-1H-pyrazole-5-carboxamide N-[(1S)-2-amino-1-benzyl-2-oxo-e…

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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)	2.13	3.2	-15.29	4	6	0	101	300.362	7	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.13	3.15	-16.24	4	6	0	101	300.362	7	↓ MOL2 SDF SMILES Flexibase

65515928

Analogs

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Popular Name: tert-butyl tert-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)	2.92	10.19	-11.96	0	6	0	64	343.427	8	↓ MOL2 SDF SMILES Flexibase

65543113

Analogs

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Popular Name: N-[2-(2-methoxyphenyl)-2-methyl-propyl]-2,5-dimethyl-pyrazole-3-carboxamide N-[2-(2-methoxyphenyl)-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)	2.83	6.45	-9.25	1	5	0	56	301.39	5	↓ MOL2 SDF SMILES Flexibase

69772784

Analogs

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Popular Name: N-[2-(2-methoxyphenyl)-1,1-dimethyl-ethyl]-2,5-dimethyl-pyrazole-3-carboxamide N-[2-(2-methoxyphenyl)-1,1-dimet…

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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	6.2	-9.36	1	5	0	56	301.39	5	↓ MOL2 SDF SMILES Flexibase

40770579

Analogs

40770581

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Popular Name: 2-ethyl-N-[(2R)-2-hydroxy-2-phenyl-ethyl]-5-methyl-pyrazole-3-carboxamide 2-ethyl-N-[(2R)-2-hydroxy-2-phen…

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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	3.49	-9.4	2	5	0	67	273.336	5	↓ MOL2 SDF SMILES Flexibase

40770581

Analogs

40770579

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-5-methyl-pyrazole-3-carboxamide 2-ethyl-N-[(2S)-2-hydroxy-2-phen…

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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	3.41	-9.52	2	5	0	67	273.336	5	↓ MOL2 SDF SMILES Flexibase

40770583

Analogs

6662995

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Popular Name: 2-ethyl-5-methyl-N-phenethyl-pyrazole-3-carboxamide 2-ethyl-5-methyl-N-phenethyl-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)	2.22	6.58	-9.52	1	4	0	47	257.337	5	↓ MOL2 SDF SMILES Flexibase

40770585

Analogs

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Popular Name: 2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-pyrazole-3-carboxamide 2-ethyl-N-[2-(4-methoxyphenyl)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)	2.28	5.88	-11.31	1	5	0	56	287.363	6	↓ MOL2 SDF SMILES Flexibase

40770587

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide N-[2-(3,4-dimethoxyphenyl)ethyl]…

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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)	1.87	5.77	-14.09	1	6	0	65	317.389	7	↓ MOL2 SDF SMILES Flexibase

40770726

Analogs

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Popular Name: 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-5-methyl-pyrazole-3-carboxamide 2-ethyl-N-[2-(2-fluorophenyl)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)	2.34	6.62	-10.51	1	4	0	47	275.327	5	↓ MOL2 SDF SMILES Flexibase

40770728

Analogs

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Popular Name: 2-ethyl-N-[2-(3-fluorophenyl)ethyl]-5-methyl-pyrazole-3-carboxamide 2-ethyl-N-[2-(3-fluorophenyl)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)	2.36	6.65	-10.93	1	4	0	47	275.327	5	↓ MOL2 SDF SMILES Flexibase

40770730

Analogs

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Popular Name: 2-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-pyrazole-3-carboxamide 2-ethyl-N-[2-(4-fluorophenyl)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)	2.38	6.65	-11.01	1	4	0	47	275.327	5	↓ MOL2 SDF SMILES Flexibase

40770732

Analogs

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Popular Name: N-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide N-[2-(2-chlorophenyl)ethyl]-2-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)	2.85	6.99	-9.72	1	4	0	47	291.782	5	↓ MOL2 SDF SMILES Flexibase

40770734

Analogs

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Popular Name: N-[2-(3-chlorophenyl)ethyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide N-[2-(3-chlorophenyl)ethyl]-2-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)	2.88	7.09	-10.21	1	4	0	47	291.782	5	↓ MOL2 SDF SMILES Flexibase

40770736

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide N-[2-(4-chlorophenyl)ethyl]-2-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)	2.90	7.1	-10.28	1	4	0	47	291.782	5	↓ MOL2 SDF SMILES Flexibase

40770738

Analogs

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Popular Name: 2-ethyl-N-[2-(2-methoxyphenyl)ethyl]-5-methyl-pyrazole-3-carboxamide 2-ethyl-N-[2-(2-methoxyphenyl)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)	2.23	5.93	-10.41	1	5	0	56	287.363	6	↓ MOL2 SDF SMILES Flexibase

40770740

Analogs

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Popular Name: 2-ethyl-N-[2-(3-methoxyphenyl)ethyl]-5-methyl-pyrazole-3-carboxamide 2-ethyl-N-[2-(3-methoxyphenyl)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)	2.25	5.88	-11.19	1	5	0	56	287.363	6	↓ MOL2 SDF SMILES Flexibase

40770932

Analogs

40770934

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Popular Name: 4-chloro-2-ethyl-N-[(2R)-2-hydroxy-2-phenyl-ethyl]-5-methyl-pyrazole-3-carboxamide 4-chloro-2-ethyl-N-[(2R)-2-hydro…

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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	3.92	-10.01	2	5	0	67	307.781	5	↓ MOL2 SDF SMILES Flexibase

40770934

Analogs

40770932

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Popular Name: 4-chloro-2-ethyl-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-5-methyl-pyrazole-3-carboxamide 4-chloro-2-ethyl-N-[(2S)-2-hydro…

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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	3.83	-10	2	5	0	67	307.781	5	↓ MOL2 SDF SMILES Flexibase

40770936

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-ethyl-5-methyl-N-phenethyl-pyrazole-3-carboxamide 4-chloro-2-ethyl-5-methyl-N-phen…

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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)	2.83	7	-9.83	1	4	0	47	291.782	5	↓ MOL2 SDF SMILES Flexibase

40770938

Analogs

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Popular Name: 4-chloro-2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-pyrazole-3-carboxamide 4-chloro-2-ethyl-N-[2-(4-methoxy…

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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	6.3	-11.61	1	5	0	56	321.808	6	↓ MOL2 SDF SMILES Flexibase

40770940

Analogs

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Popular Name: 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide 4-chloro-N-[2-(3,4-dimethoxyphen…

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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)	2.47	6.2	-14.45	1	6	0	65	351.834	7	↓ MOL2 SDF SMILES Flexibase

40771106

Analogs

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Popular Name: 4-chloro-2-ethyl-N-[2-(2-fluorophenyl)ethyl]-5-methyl-pyrazole-3-carboxamide 4-chloro-2-ethyl-N-[2-(2-fluorop…

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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	7.05	-11.32	1	4	0	47	309.772	5	↓ MOL2 SDF SMILES Flexibase

40771108

Analogs

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Popular Name: 4-chloro-2-ethyl-N-[2-(3-fluorophenyl)ethyl]-5-methyl-pyrazole-3-carboxamide 4-chloro-2-ethyl-N-[2-(3-fluorop…

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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)	2.97	7.07	-11.54	1	4	0	47	309.772	5	↓ MOL2 SDF SMILES Flexibase

40771110

Analogs

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Popular Name: 4-chloro-2-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-pyrazole-3-carboxamide 4-chloro-2-ethyl-N-[2-(4-fluorop…

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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)	2.99	7.07	-11.38	1	4	0	47	309.772	5	↓ MOL2 SDF SMILES Flexibase

40771112

Analogs

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Popular Name: 4-chloro-N-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide 4-chloro-N-[2-(2-chlorophenyl)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)	3.46	7.42	-10.47	1	4	0	47	326.227	5	↓ MOL2 SDF SMILES Flexibase

40771114

Analogs

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Popular Name: 4-chloro-N-[2-(3-chlorophenyl)ethyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide 4-chloro-N-[2-(3-chlorophenyl)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)	3.48	7.51	-10.74	1	4	0	47	326.227	5	↓ MOL2 SDF SMILES Flexibase

40771116

Analogs

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Popular Name: 4-chloro-N-[2-(4-chlorophenyl)ethyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide 4-chloro-N-[2-(4-chlorophenyl)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)	3.51	7.52	-10.62	1	4	0	47	326.227	5	↓ MOL2 SDF SMILES Flexibase

40771118

Analogs

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Popular Name: 4-chloro-2-ethyl-N-[2-(2-methoxyphenyl)ethyl]-5-methyl-pyrazole-3-carboxamide 4-chloro-2-ethyl-N-[2-(2-methoxy…

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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)	2.84	6.36	-10.99	1	5	0	56	321.808	6	↓ MOL2 SDF SMILES Flexibase

40771120

Analogs

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Popular Name: 4-chloro-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]-5-methyl-pyrazole-3-carboxamide 4-chloro-2-ethyl-N-[2-(3-methoxy…

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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)	2.86	6.3	-11.69	1	5	0	56	321.808	6	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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Activity (Go SEA)

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Activity (Go SEA)

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Activity (Go SEA)

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Activity (Go SEA)

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Activity (Go SEA)

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Activity (Go SEA)

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Activity (Go SEA)

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Activity (Go SEA)

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Activity (Go SEA)

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Activity (Go SEA)

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Activity (Go SEA)

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Activity (Go SEA)

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