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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

2786704

Analogs

28227920
2780865
2780609

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(3-methylpyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 2-[3-(3-methylpyrazol-1-yl)propa…

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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)	1.39	-3.65	-13.67	3	6	0	90	332.429	5	↓ MOL2 SDF SMILES Flexibase

2790826

Analogs

2790827
2790828
2790829
2791034
2791035

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(4-bromopyrazol-1-yl)-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-me (2S)-3-(4-bromopyrazol-1-yl)-N-[…

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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)	5.12	10.68	-7.7	1	5	0	71	449.418	5	↓ MOL2 SDF SMILES Flexibase

2790827

Analogs

2790828
2790829
2791034
2791035
2791036

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(4-bromopyrazol-1-yl)-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-me (2R)-3-(4-bromopyrazol-1-yl)-N-[…

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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)	5.12	10.72	-7.4	1	5	0	71	449.418	5	↓ MOL2 SDF SMILES Flexibase

2790828

Analogs

2790829
2791034
2791035
2791036
2791037

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(4-bromopyrazol-1-yl)-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-me (2S)-3-(4-bromopyrazol-1-yl)-N-[…

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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)	5.12	10.68	-7.68	1	5	0	71	449.418	5	↓ MOL2 SDF SMILES Flexibase

2790829

Analogs

2791034
2791035
2791036
2791037
2790826

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(4-bromopyrazol-1-yl)-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-me (2R)-3-(4-bromopyrazol-1-yl)-N-[…

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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)	5.12	10.72	-7.44	1	5	0	71	449.418	5	↓ MOL2 SDF SMILES Flexibase

2791034

Analogs

2791461
2791462
2792256
2792757
28228100

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiop (2R)-3-(4-bromo-3,5-dimethyl-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)	5.56	11.69	-8.98	1	5	0	71	477.472	5	↓ MOL2 SDF SMILES Flexibase

2791035

Analogs

2791461
2791462
2792256
2792757
28228100

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiop (2S)-3-(4-bromo-3,5-dimethyl-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)	5.56	11.24	-9.35	1	5	0	71	477.472	5	↓ MOL2 SDF SMILES Flexibase

2791036

Analogs

2791461
2791462
2792256
2792757
28228100

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiop (2R)-3-(4-bromo-3,5-dimethyl-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)	5.56	11.69	-8.96	1	5	0	71	477.472	5	↓ MOL2 SDF SMILES Flexibase

2791037

Analogs

2791461
2791462
2792256
2792757
28228100

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiop (2S)-3-(4-bromo-3,5-dimethyl-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)	5.56	11.24	-9.35	1	5	0	71	477.472	5	↓ MOL2 SDF SMILES Flexibase

2791195

Analogs

2791196

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromopyrazol-1-yl)-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]propionami 3-(4-bromopyrazol-1-yl)-N-[(6S)-…

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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)	4.64	9.89	-8.56	1	5	0	71	435.391	5	↓ MOL2 SDF SMILES Flexibase

2791196

Analogs

2791195

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromopyrazol-1-yl)-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]propionami 3-(4-bromopyrazol-1-yl)-N-[(6R)-…

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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)	4.64	9.89	-8.57	1	5	0	71	435.391	5	↓ MOL2 SDF SMILES Flexibase

2791461

Analogs

2791462
2791694
2791034
2791035

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2 3-(4-bromo-3,5-dimethyl-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)	5.09	10.91	-9.48	1	5	0	71	463.445	5	↓ MOL2 SDF SMILES Flexibase

2791462

Analogs

2791694
2791034
2791035

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2 3-(4-bromo-3,5-dimethyl-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)	5.09	10.91	-9.45	1	5	0	71	463.445	5	↓ MOL2 SDF SMILES Flexibase

2791464

Analogs

2791465
2791694

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(4-bromopyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-propionamide (2S)-3-(4-bromopyrazol-1-yl)-N-(…

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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)	3.31	0.39	-8.26	1	5	0	70	393.31	4	↓ MOL2 SDF SMILES Flexibase

2791465

Analogs

2791694
2791464

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(4-bromopyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-propionamide (2R)-3-(4-bromopyrazol-1-yl)-N-(…

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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)	3.31	0.35	-7.94	1	5	0	70	393.31	4	↓ MOL2 SDF SMILES Flexibase

2791528

Analogs

2791529

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(4-chloro-3,5-dimethyl-pyrazol- N-[(6S)-6-tert-butyl-3-cyano-4,5…

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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)	4.95	1.88	-9.49	1	5	0	70	418.994	5	↓ MOL2 SDF SMILES Flexibase

2791529

Analogs

2791528

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(4-chloro-3,5-dimethyl-pyrazol- N-[(6R)-6-tert-butyl-3-cyano-4,5…

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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)	4.95	1.88	-9.47	1	5	0	70	418.994	5	↓ MOL2 SDF SMILES Flexibase

2791540

Analogs

2791541
2791715
2791716

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(3-nitropyrazol-1-yl)propionami N-[(6S)-6-tert-butyl-3-cyano-4,5…

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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)	3.99	2.52	-15.37	1	8	0	116	401.492	6	↓ MOL2 SDF SMILES Flexibase

2791541

Analogs

2791715
2791716
2791540

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(3-nitropyrazol-1-yl)propionami N-[(6R)-6-tert-butyl-3-cyano-4,5…

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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)	3.99	2.52	-15.38	1	8	0	116	401.492	6	↓ MOL2 SDF SMILES Flexibase

2791693

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl (2R)-3-(4-bromo-3,5-dimethyl-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)	3.76	9.21	-9.18	1	5	0	71	421.364	4	↓ MOL2 SDF SMILES Flexibase

2791694

Analogs

2792256
2792757
28228100
28234070
28234074

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl (2S)-3-(4-bromo-3,5-dimethyl-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)	3.76	9.67	-8.81	1	5	0	71	421.364	4	↓ MOL2 SDF SMILES Flexibase

2791715

Analogs

9597969
9673312
12845931
2791541
2791540

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(5-methyl-3-nitro-pyrazol-1-yl) N-[(6S)-6-tert-butyl-3-cyano-4,5…

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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)	4.21	2.58	-14.91	1	8	0	116	415.519	6	↓ MOL2 SDF SMILES Flexibase

2791716

Analogs

9597969
9673312
12845931
2791541
2791540

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(5-methyl-3-nitro-pyrazol-1-yl) N-[(6R)-6-tert-butyl-3-cyano-4,5…

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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)	4.21	2.58	-14.9	1	8	0	116	415.519	6	↓ MOL2 SDF SMILES Flexibase

2791985

Analogs

2791986
2782585
2782586

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(4-chloro-3-methyl-pyrazol-1-yl N-[(6S)-6-tert-butyl-3-cyano-4,5…

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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)	4.73	1.82	-8.85	1	5	0	70	404.967	5	↓ MOL2 SDF SMILES Flexibase

2791986

Analogs

2782585
2782586

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(4-chloro-3-methyl-pyrazol-1-yl N-[(6R)-6-tert-butyl-3-cyano-4,5…

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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)	4.73	1.82	-8.8	1	5	0	70	404.967	5	↓ MOL2 SDF SMILES Flexibase

2792256

Analogs

2791034
2791035

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide 3-(4-bromo-3,5-dimethyl-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)	3.28	-0.04	-9.9	1	5	0	70	407.337	4	↓ MOL2 SDF SMILES Flexibase

2792757

Analogs

2793671
2791034
2791035

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl 3-[4-bromo-5-methyl-3-(trifluoro…

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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)	4.20	9.2	-11.45	1	5	0	71	461.307	5	↓ MOL2 SDF SMILES Flexibase

64548612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4,5,6,7-tetrahydrobenzot 2-[3-[4-(methylaminomethyl)-3-(t…

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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)	1.79	4.38	-51.87	5	7	1	107	430.476	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	3.19	-15.62	4	7	0	102	429.468	8	↓ MOL2 SDF SMILES Flexibase

64548744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4,5,6,7-tetrahydrobenzoth 2-[3-[4-(ethylaminomethyl)-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)	2.16	5.25	-51.17	5	7	1	107	444.503	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.16	4.12	-15.47	4	7	0	102	443.495	9	↓ MOL2 SDF SMILES Flexibase

64548745

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Popular Name: 2-[3-[4-(diethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4,5,6,7-tetrahydrobenzo 2-[3-[4-(diethylaminomethyl)-3-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.79	7.67	-47.61	4	7	1	94	472.557	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.79	5.88	-14.83	3	7	0	93	471.549	10	↓ MOL2 SDF SMILES Flexibase

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