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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

Analogs

6096699

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Popular Name: Benzidol Benzidol

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	-5.31	-12.11	2	5	0	67	298.342	6	↓ MOL2 SDF SMILES Flexibase

217

Analogs

2019965

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Popular Name: MI) MI)

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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)	3.00	2.38	-45.67	2	5	1	51	335.431	5	↓ MOL2 SDF SMILES Flexibase

347

Analogs

12503197
22056293

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Popular Name: Granisetron Granisetron

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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	7.38	-39.3	2	5	1	51	313.425	2	↓ MOL2 SDF SMILES Flexibase

40344857

Analogs

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Popular Name: (4S)-5-butyl-4-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-butyl-4-(2,4-dichlorophen…

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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)	5.79	11.25	-11.95	1	5	0	58	430.335	6	↓ MOL2 SDF SMILES Flexibase

757

Analogs

59299138

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Popular Name: N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine N,1-dimethyl-4,5,6,7-tetrahydro-…

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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)	1.54	4.21	-24.05	2	3	1	31	166.248	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.54	4.09	-7.02	1	3	0	30	165.24	1	↓ MOL2 SDF SMILES Flexibase

751011

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(2,4-dimethylphenyl)carbamoyl-isobutyl-amino]ace N-[5-tert-butyl-2-(4-methoxyphen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.66	14.9	-18.92	2	8	0	88	505.663	9	↓ MOL2 SDF SMILES Flexibase

751017

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(3,4-dimethylphenyl)carbamoyl-isobutyl-amino]ace N-[5-tert-butyl-2-(4-methoxyphen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.66	14.4	-18.85	2	8	0	88	505.663	9	↓ MOL2 SDF SMILES Flexibase

751019

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(2,3-dimethylphenyl)carbamoyl-isobutyl-amino]ace N-[5-tert-butyl-2-(4-methoxyphen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.63	14.84	-18.94	2	8	0	88	505.663	9	↓ MOL2 SDF SMILES Flexibase

751021

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(3-chloro-4-fluoro-phenyl)carbamoyl-isobutyl-ami N-[5-tert-butyl-2-(4-methoxyphen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.60	13.76	-19.55	2	8	0	88	530.044	9	↓ MOL2 SDF SMILES Flexibase

751027

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[ethyl(m-tolylcarbamoyl)amino]acetamide N-[5-tert-butyl-2-(4-methoxyphen…

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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)	5.51	12.57	-19.79	2	8	0	88	463.582	8	↓ MOL2 SDF SMILES Flexibase

751029

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[ethyl(p-tolylcarbamoyl)amino]acetamide N-[5-tert-butyl-2-(4-methoxyphen…

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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)	5.54	12.56	-19.9	2	8	0	88	463.582	8	↓ MOL2 SDF SMILES Flexibase

751031

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[ethyl-[(3-fluorophenyl)carbamoyl]amino]acetamide N-[5-tert-butyl-2-(4-methoxyphen…

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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)	5.23	11.96	-18.22	2	8	0	88	467.545	8	↓ MOL2 SDF SMILES Flexibase

751033

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[ethyl(1-naphthylcarbamoyl)amino]acetamide N-[5-tert-butyl-2-(4-methoxyphen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.25	14.33	-20.43	2	8	0	88	499.615	8	↓ MOL2 SDF SMILES Flexibase

751035

Analogs

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Popular Name: 2-[(2-bromophenyl)carbamoyl-ethyl-amino]-N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]acetamide 2-[(2-bromophenyl)carbamoyl-ethy…

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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)	5.85	12.67	-18.13	2	8	0	88	528.451	8	↓ MOL2 SDF SMILES Flexibase

751037

Analogs

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Popular Name: 2-[(3-bromophenyl)carbamoyl-ethyl-amino]-N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]acetamide 2-[(3-bromophenyl)carbamoyl-ethy…

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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)	5.87	12.48	-20.43	2	8	0	88	528.451	8	↓ MOL2 SDF SMILES Flexibase

751040

Analogs

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Popular Name: 2-[(4-bromophenyl)carbamoyl-ethyl-amino]-N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]acetamide 2-[(4-bromophenyl)carbamoyl-ethy…

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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)	5.90	12.5	-21.31	2	8	0	88	528.451	8	↓ MOL2 SDF SMILES Flexibase

751041

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(3,4-difluorophenyl)carbamoyl-ethyl-amino]acetam N-[5-tert-butyl-2-(4-methoxyphen…

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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)	5.34	11.99	-24.86	2	8	0	88	485.535	8	↓ MOL2 SDF SMILES Flexibase

751043

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(3,4-dimethylphenyl)carbamoyl-ethyl-amino]acetam N-[5-tert-butyl-2-(4-methoxyphen…

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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)	5.91	13.13	-18.41	2	8	0	88	477.609	8	↓ MOL2 SDF SMILES Flexibase

751046

Analogs

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Popular Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-[isobutyl(phenylcarbamoyl)amino]acetamide N-[2-(2,4-dimethylphenyl)-5-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)	6.54	16.47	-21.76	2	7	0	79	495.627	8	↓ MOL2 SDF SMILES Flexibase

751048

Analogs

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Popular Name: 2-[benzylcarbamoyl(isobutyl)amino]-N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]acetamide 2-[benzylcarbamoyl(isobutyl)amin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.79	16.83	-18.43	2	7	0	79	509.654	9	↓ MOL2 SDF SMILES Flexibase

751050

Analogs

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Popular Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-[(2-fluorophenyl)carbamoyl-isobutyl-amino]acetami N-[2-(2,4-dimethylphenyl)-5-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)	6.66	16.68	-18.98	2	7	0	79	513.617	8	↓ MOL2 SDF SMILES Flexibase

751053

Analogs

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Popular Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-[(3-fluorophenyl)carbamoyl-isobutyl-amino]acetami N-[2-(2,4-dimethylphenyl)-5-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)	6.68	16.48	-17.62	2	7	0	79	513.617	8	↓ MOL2 SDF SMILES Flexibase

751059

Analogs

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Popular Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-[isobutyl-[(2-methoxyphenyl)carbamoyl]amino]aceta N-[2-(2,4-dimethylphenyl)-5-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)	6.55	15.98	-20.13	2	8	0	88	525.653	9	↓ MOL2 SDF SMILES Flexibase

751060

Analogs

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Popular Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-[isobutyl-[(3-methoxyphenyl)carbamoyl]amino]aceta N-[2-(2,4-dimethylphenyl)-5-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)	6.57	15.71	-23.06	2	8	0	88	525.653	9	↓ MOL2 SDF SMILES Flexibase

751063

Analogs

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Popular Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-[isobutyl-[(4-methoxyphenyl)carbamoyl]amino]aceta N-[2-(2,4-dimethylphenyl)-5-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)	6.60	15.84	-21.53	2	8	0	88	525.653	9	↓ MOL2 SDF SMILES Flexibase

751065

Analogs

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Popular Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-[isobutyl(o-tolylcarbamoyl)amino]acetamide N-[2-(2,4-dimethylphenyl)-5-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)	6.94	17.45	-20.26	2	7	0	79	509.654	8	↓ MOL2 SDF SMILES Flexibase

751069

Analogs

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Popular Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-[phenylcarbamoyl(propyl)amino]acetamide N-[2-(2,4-dimethylphenyl)-5-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)	6.30	15.85	-20.57	2	7	0	79	481.6	8	↓ MOL2 SDF SMILES Flexibase

751072

Analogs

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Popular Name: 2-[benzylcarbamoyl(propyl)amino]-N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]acetamide 2-[benzylcarbamoyl(propyl)amino]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.55	15.97	-18.98	2	7	0	79	495.627	9	↓ MOL2 SDF SMILES Flexibase

751075

Analogs

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Popular Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-[(2-methoxyphenyl)carbamoyl-propyl-amino]acetamid N-[2-(2,4-dimethylphenyl)-5-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)	6.31	15.23	-20.26	2	8	0	88	511.626	9	↓ MOL2 SDF SMILES Flexibase

751077

Analogs

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Popular Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-[(3-methoxyphenyl)carbamoyl-propyl-amino]acetamid N-[2-(2,4-dimethylphenyl)-5-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)	6.33	15.19	-22.42	2	8	0	88	511.626	9	↓ MOL2 SDF SMILES Flexibase

751079

Analogs

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Popular Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-[(4-methoxyphenyl)carbamoyl-propyl-amino]acetamid N-[2-(2,4-dimethylphenyl)-5-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)	6.35	15.14	-21.02	2	8	0	88	511.626	9	↓ MOL2 SDF SMILES Flexibase

751081

Analogs

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Popular Name: 2-[(4-cyanophenyl)carbamoyl-propyl-amino]-N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]acetamide 2-[(4-cyanophenyl)carbamoyl-prop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.05	16.32	-21.43	2	8	0	103	506.61	8	↓ MOL2 SDF SMILES Flexibase

751084

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(3,4-dichlorophenyl)carbamoyl-methyl-amino]aceta N-[5-tert-butyl-2-(4-methoxyphen…

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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)	5.99	11.88	-24.2	2	8	0	88	504.418	7	↓ MOL2 SDF SMILES Flexibase

751085

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(3-chlorophenyl)carbamoyl-methyl-amino]acetamide N-[5-tert-butyl-2-(4-methoxyphen…

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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)	5.36	11.4	-21.77	2	8	0	88	469.973	7	↓ MOL2 SDF SMILES Flexibase

751088

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[methyl(1-naphthylcarbamoyl)amino]acetamide N-[5-tert-butyl-2-(4-methoxyphen…

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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)	5.87	13.33	-24.25	2	8	0	88	485.588	7	↓ MOL2 SDF SMILES Flexibase

751090

Analogs

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Popular Name: 2-[(2-bromophenyl)carbamoyl-methyl-amino]-N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]acetamide 2-[(2-bromophenyl)carbamoyl-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)	5.47	11.65	-20.68	2	8	0	88	514.424	7	↓ MOL2 SDF SMILES Flexibase

751092

Analogs

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Popular Name: 2-[(3-bromophenyl)carbamoyl-methyl-amino]-N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]acetamide 2-[(3-bromophenyl)carbamoyl-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)	5.50	11.5	-21.69	2	8	0	88	514.424	7	↓ MOL2 SDF SMILES Flexibase

751094

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(2,6-diisopropylphenyl)carbamoyl-methyl-amino]ac N-[5-tert-butyl-2-(4-methoxyphen…

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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)	5.76	14.61	-18.69	2	8	0	88	519.69	9	↓ MOL2 SDF SMILES Flexibase

751096

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(4-ethylphenyl)carbamoyl-methyl-amino]acetamide N-[5-tert-butyl-2-(4-methoxyphen…

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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)	5.63	12.28	-23.82	2	8	0	88	463.582	8	↓ MOL2 SDF SMILES Flexibase

751097

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[methyl(p-cumenylcarbamoyl)amino]acetamide N-[5-tert-butyl-2-(4-methoxyphen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.22	12.78	-23.64	2	8	0	88	477.609	8	↓ MOL2 SDF SMILES Flexibase

751099

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]ami N-[5-tert-butyl-2-(4-methoxyphen…

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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)	5.61	11.91	-23.57	2	8	0	88	503.525	8	↓ MOL2 SDF SMILES Flexibase

751101

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(3,4-dimethylphenyl)carbamoyl-methyl-amino]aceta N-[5-tert-butyl-2-(4-methoxyphen…

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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)	5.54	12.18	-24.08	2	8	0	88	463.582	7	↓ MOL2 SDF SMILES Flexibase

751103

Analogs

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Popular Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonyl-amino]acetamide N-(5-tert-butyl-2-phenyl-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)	4.75	-0.67	-15.18	1	7	0	84	458.559	8	↓ MOL2 SDF SMILES Flexibase

751107

Analogs

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Popular Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[ethyl(2-naphthylsulfonyl)amino]acetamide N-(5-tert-butyl-2-phenyl-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)	5.77	-1.28	-17.17	1	7	0	84	490.629	8	↓ MOL2 SDF SMILES Flexibase

751112

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(4-fluorophenyl)sulfonyl-propyl-amino]acetamide N-[5-tert-butyl-2-(4-methoxyphen…

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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)	5.31	-0.59	-15.35	1	8	0	93	502.612	10	↓ MOL2 SDF SMILES Flexibase

751116

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[propyl(tosyl)amino]acetamide N-[5-tert-butyl-2-(4-methoxyphen…

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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)	5.60	-1.01	-15.77	1	8	0	93	498.649	10	↓ MOL2 SDF SMILES Flexibase

751119

Analogs

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Popular Name: 2-[besyl(propyl)amino]-N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]acetamide 2-[besyl(propyl)amino]-N-[5-tert…

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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)	5.15	-1.33	-15.88	1	8	0	93	484.622	10	↓ MOL2 SDF SMILES Flexibase

751122

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[mesitylsulfonyl(propyl)amino]acetamide N-[5-tert-butyl-2-(4-methoxyphen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.35	0.2	-15.61	1	8	0	93	526.703	10	↓ MOL2 SDF SMILES Flexibase

751126

Analogs

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Popular Name: 2-[besyl(ethyl)amino]-N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]acetamide 2-[besyl(ethyl)amino]-N-[5-tert-…

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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)	4.75	-0.67	-14.61	1	7	0	84	458.559	8	↓ MOL2 SDF SMILES Flexibase

751130

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-2-[ethyl(1-naphthylsulfonyl)amino]acetamide N-[5-tert-butyl-2-(4-fluoropheny…

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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)	5.91	-0.9	-14.77	1	7	0	84	508.619	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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