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)	2.53	7.09	-14.35	2	6	0	68	336.442	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.77	6.01	-36.37	1	6	-1	75	335.434	3	↓ MOL2 SDF SMILES Flexibase

35016658

Analogs

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Popular Name: 2-(1,3-dimethylthieno[2,3-c]pyrazol-5-yl)ethyl 2-(1,3-dimethylthieno[2,3-c]pyra…

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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)	2.73	7.87	-15.68	2	6	0	68	350.469	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.98	6.8	-38.02	1	6	-1	75	349.461	4	↓ MOL2 SDF SMILES Flexibase

45415837

Analogs

9056412

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Popular Name: N-(2-anilino-2-oxo-ethyl)-1-[(4-fluorophenyl)methyl]-N,3-dimethyl-thieno[2,3-c]pyrazole-5-carboxamid N-(2-anilino-2-oxo-ethyl)-1-[(4-…

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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)	4.28	10.61	-19.95	1	6	0	67	436.512	6	↓ MOL2 SDF SMILES Flexibase

35640390

Analogs

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Popular Name: N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(p-tolyl)-3-(trifluoromethyl)thieno[2,3-c]pyrazole-5-carboxam N-[2-[(4-methoxybenzoyl)amino]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)	4.62	8.57	-15.55	2	7	0	85	502.518	8	↓ MOL2 SDF SMILES Flexibase

35640392

Analogs

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Popular Name: 3-ethyl-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1-(4-methoxyphenyl)thieno[2,3-c]pyrazole-5-carboxamide 3-ethyl-N-[2-[(2-fluorobenzoyl)a…

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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)	3.95	8.34	-19.15	2	7	0	85	466.538	8	↓ MOL2 SDF SMILES Flexibase

17972948

Analogs

31546532

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Popular Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-1-[(4-fluorophenyl)methyl]-N,3-dimethyl-thieno[4,5-d]p N-[2-[(2,6-dimethylphenyl)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)	4.15	12.27	-19.36	1	6	0	67	464.566	6	↓ MOL2 SDF SMILES Flexibase

17973347

Analogs

15622170

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Popular Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-N,3-dimethyl-1-phenyl-thieno[4,5-d]pyrazole-5-carboxam N-[2-[(2,6-dimethylphenyl)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)	3.66	11.7	-19.46	1	6	0	67	432.549	5	↓ MOL2 SDF SMILES Flexibase

11806419

Analogs

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Popular Name: 6,8-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thia-6,7-diazabicyclo[3.3.0]octa-2,7,9-triene-3-ca 6,8-dimethyl-N-(5-phenyl-1,3,4-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)	3.44	7.63	-16.21	1	6	0	73	355.448	3	↓ MOL2 SDF SMILES Flexibase

53409640

Analogs

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Popular Name: 1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-c]pyrazole-5-carboxamide 1,3-dimethyl-N-[(1-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)	0.88	4.15	-12.63	1	6	0	65	289.364	3	↓ MOL2 SDF SMILES Flexibase

11837421

Analogs

11837422

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Popular Name: (carbamoyl-phenyl-methyl) (carbamoyl-phenyl-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)	3.18	-0.23	-13.81	2	6	0	87	371.462	7	↓ MOL2 SDF SMILES Flexibase

11837422

Analogs

11837421

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Popular Name: (carbamoyl-phenyl-methyl) (carbamoyl-phenyl-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)	3.18	-0.24	-14.02	2	6	0	87	371.462	7	↓ MOL2 SDF SMILES Flexibase

11973434

Analogs

11973439

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Popular Name: 1-(4-oxo-3H-quinazolin-2-yl)ethyl 1-(4-oxo-3H-quinazolin-2-yl)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)	2.86	-0.49	-12.49	1	7	0	90	368.418	4	↓ MOL2 SDF SMILES Flexibase

11973439

Analogs

11973434

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Popular Name: 1-(4-oxo-3H-quinazolin-2-yl)ethyl 1-(4-oxo-3H-quinazolin-2-yl)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)	2.86	-0.49	-12.5	1	7	0	90	368.418	4	↓ MOL2 SDF SMILES Flexibase

11974047

Analogs

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Popular Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl [3-(4-fluorophenyl)-1,2,4-oxadia…

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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)	3.61	0.85	-9.85	0	7	0	83	372.381	5	↓ MOL2 SDF SMILES Flexibase

11974650

Analogs

11974654

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Popular Name: (cyclopropylcarbamoyl-phenyl-methyl) (cyclopropylcarbamoyl-phenyl-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)	2.80	-0.1	-12.99	1	6	0	73	369.446	6	↓ MOL2 SDF SMILES Flexibase

11974654

Analogs

11974650

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Popular Name: (cyclopropylcarbamoyl-phenyl-methyl) (cyclopropylcarbamoyl-phenyl-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)	2.80	-0.13	-13.24	1	6	0	73	369.446	6	↓ MOL2 SDF SMILES Flexibase

11975219

Analogs

11975223

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Popular Name: (dimethylcarbamoyl-phenyl-methyl) (dimethylcarbamoyl-phenyl-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)	2.24	1.67	-15.39	0	6	0	64	357.435	5	↓ MOL2 SDF SMILES Flexibase

11975223

Analogs

11975219

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Popular Name: (dimethylcarbamoyl-phenyl-methyl) (dimethylcarbamoyl-phenyl-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)	2.24	1.75	-15.22	0	6	0	64	357.435	5	↓ MOL2 SDF SMILES Flexibase

11975260

Analogs

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Popular Name: [5-(2-furyl)isoxazol-3-yl]methyl [5-(2-furyl)isoxazol-3-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)	3.13	7.73	-11.37	0	7	0	83	343.364	5	↓ MOL2 SDF SMILES Flexibase

11975302

Analogs

11975308

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Popular Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] [2-(4-acetyl-3,5-dimethyl-1H-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)	2.84	2.07	-15.98	1	7	0	94	387.461	6	↓ MOL2 SDF SMILES Flexibase

11975308

Analogs

11975302

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Popular Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] [2-(4-acetyl-3,5-dimethyl-1H-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)	2.84	2.12	-15.65	1	7	0	94	387.461	6	↓ MOL2 SDF SMILES Flexibase

36130385

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-1,3-dimethyl-thieno[2,3-c]pyrazole-5-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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)	1.09	3.09	-12.09	1	5	0	58	279.365	4	↓ MOL2 SDF SMILES Flexibase

11984088

Analogs

11984094

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Popular Name: N-[1-(4-ethoxyphenyl)ethyl]-2,4-dimethyl-6-thia-3,4-diazabicyclo[3.3.0]octa-2,7,9-triene-7-carboxami N-[1-(4-ethoxyphenyl)ethyl]-2,4-…

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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)	3.50	-0.54	-10.82	1	5	0	56	343.452	5	↓ MOL2 SDF SMILES Flexibase

11984094

Analogs

11984088

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Popular Name: N-[1-(4-ethoxyphenyl)ethyl]-2,4-dimethyl-6-thia-3,4-diazabicyclo[3.3.0]octa-2,7,9-triene-7-carboxami N-[1-(4-ethoxyphenyl)ethyl]-2,4-…

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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)	3.50	-0.54	-10.8	1	5	0	56	343.452	5	↓ MOL2 SDF SMILES Flexibase

11984784

Analogs

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Popular Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-2,4-dimethyl-6-thia-3,4-diazabicyclo[3.3.0]octa-2,7,9-triene-7- N-[(4-fluoro-3-methyl-phenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.05	-0.32	-9.87	1	4	0	47	317.389	3	↓ MOL2 SDF SMILES Flexibase

20237848

Analogs

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Popular Name: 3-(2-fluorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]thieno[4,5-d]pyrazole-5-carboxamide 3-(2-fluorophenyl)-1-methyl-N-[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)	5.24	10.32	-17.37	1	4	0	47	419.403	4	↓ MOL2 SDF SMILES Flexibase

20237851

Analogs

20855999

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Popular Name: [3-(2-fluorophenyl)-1-methyl-thieno[4,5-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone [3-(2-fluorophenyl)-1-methyl-thi…

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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)	2.81	6.74	-13.47	0	5	0	41	358.442	2	↓ MOL2 SDF SMILES Flexibase

20237854

Analogs

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Popular Name: [4-(3-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-methyl-thieno[4,5-d]pyrazol-5-yl]methanone [4-(3-chlorophenyl)piperazin-1-y…

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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)	5.16	10.72	-14.08	0	5	0	41	454.958	3	↓ MOL2 SDF SMILES Flexibase

20237857

Analogs

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Popular Name: [3-(2-fluorophenyl)-1-methyl-thieno[4,5-d]pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone [3-(2-fluorophenyl)-1-methyl-thi…

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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)	4.47	10.87	-19.66	0	8	0	87	465.51	4	↓ MOL2 SDF SMILES Flexibase

20237860

Analogs

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Popular Name: (4-benzylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-methyl-thieno[4,5-d]pyrazol-5-yl]methanone (4-benzylpiperazin-1-yl)-[3-(2-f…

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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	10.25	-13.37	0	5	0	41	434.54	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.21	12.59	-55.51	1	5	1	43	435.548	4	↓ MOL2 SDF SMILES Flexibase

20237866

Analogs

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Popular Name: N-(2-ethoxyphenyl)-3-(2-fluorophenyl)-1-methyl-thieno[4,5-d]pyrazole-5-carboxamide N-(2-ethoxyphenyl)-3-(2-fluoroph…

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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)	4.76	9.69	-14.09	1	5	0	56	395.459	5	↓ MOL2 SDF SMILES Flexibase

20237869

Analogs

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Popular Name: 3-(2-fluorophenyl)-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]thieno[4,5-d]pyrazole-5-carboxamide 3-(2-fluorophenyl)-1-methyl-N-[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)	2.87	8.04	-48.97	2	6	1	55	416.546	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.87	5.57	-14.97	1	6	0	53	415.538	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.87	7.9	-52.87	2	6	1	55	416.546	6	↓ MOL2 SDF SMILES Flexibase

20237875

Analogs

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Popular Name: N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(2-fluorophenyl)-1-methyl-thieno[4,5-d]pyrazole-5-carboxamide N-[3-(4-ethylpiperazin-1-yl)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)	3.24	8.7	-47.71	2	6	1	55	430.573	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.24	6.39	-14.71	1	6	0	53	429.565	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.24	8.7	-53.08	2	6	1	55	430.573	7	↓ MOL2 SDF SMILES Flexibase

20237878

Analogs

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Popular Name: [3-(2-fluorophenyl)-1-methyl-thieno[4,5-d]pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl [3-(2-fluorophenyl)-1-methyl-thi…

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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)	5.38	11.2	-14.82	0	5	0	41	488.51	4	↓ MOL2 SDF SMILES Flexibase

20237881

Analogs

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Popular Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-methyl-thieno[4,5-d]pyrazol-5-yl]methan [4-(2,3-dimethylphenyl)piperazin…

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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	12.41	-13.75	0	5	0	41	448.567	3	↓ MOL2 SDF SMILES Flexibase

20237884

Analogs

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Popular Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-methyl-thieno[4,5-d]pyrazol-5-yl]methan [4-(2,5-dimethylphenyl)piperazin…

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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)	5.33	12.4	-13.64	0	5	0	41	448.567	3	↓ MOL2 SDF SMILES Flexibase

20237890

Analogs

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Popular Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-fluorophenyl)-1-methyl-thieno[4,5-d]pyrazole-5-carboxamide N-[3-(4-benzylpiperazin-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)	4.26	11.43	-55.04	2	6	1	55	492.644	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.26	11.5	-51.14	2	6	1	55	492.644	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.26	9.12	-15.43	1	6	0	53	491.636	8	↓ MOL2 SDF SMILES Flexibase

20237894

Analogs

8596114

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Popular Name: 3-(2-fluorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-thieno[4,5-d]pyrazole-5-ca 3-(2-fluorophenyl)-N-[2-[4-(2-fl…

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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)	4.41	10.6	-55.72	2	6	1	55	482.58	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.41	8.28	-17.91	1	6	0	53	481.572	6	↓ MOL2 SDF SMILES Flexibase

20237897

Analogs

20855999

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Popular Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-fluorophenyl)-1-methyl-thieno[4,5-d]pyrazole-5-carboxamide N-[2-(4-benzylpiperazin-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)	4.00	10.65	-54.32	2	6	1	55	478.617	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.00	10.71	-51.52	2	6	1	55	478.617	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.00	8.33	-15.81	1	6	0	53	477.609	7	↓ MOL2 SDF SMILES Flexibase

20237900

Analogs

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Popular Name: 3-(2-fluorophenyl)-1-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[4,5-d]pyrazole-5-carboxamide 3-(2-fluorophenyl)-1-methyl-N-[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)	3.75	9.45	-48.46	2	6	1	55	444.6	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.75	7.14	-14.59	1	6	0	53	443.592	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.75	9.45	-53.28	2	6	1	55	444.6	8	↓ MOL2 SDF SMILES Flexibase

20239117

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]thieno[4,5-d]pyrazole-5-carboxamide 3-(4-chlorophenyl)-1-methyl-N-[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)	5.81	10.74	-14.4	1	4	0	47	435.858	4	↓ MOL2 SDF SMILES Flexibase

20239120

Analogs

35509941
35509943

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Popular Name: N-(2-bromo-4-methyl-phenyl)-3-(4-chlorophenyl)-1-methyl-thieno[4,5-d]pyrazole-5-carboxamide N-(2-bromo-4-methyl-phenyl)-3-(4…

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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)	6.12	11.15	-9.14	1	4	0	47	460.784	3	↓ MOL2 SDF SMILES Flexibase

20239123

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-methyl-N-(4-phenoxyphenyl)thieno[4,5-d]pyrazole-5-carboxamide 3-(4-chlorophenyl)-1-methyl-N-(4…

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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)	6.69	12.59	-13.59	1	5	0	56	459.958	5	↓ MOL2 SDF SMILES Flexibase

20239126

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-3-(4-chlorophenyl)-1-methyl-thieno[4,5-d]pyrazole-5-carboxamide N-(3-chloro-4-methoxy-phenyl)-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)	5.60	9.61	-15.31	1	5	0	56	432.332	4	↓ MOL2 SDF SMILES Flexibase

20239128

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1-methyl-thieno[4,5-d]pyrazole-5-carboxamide 3-(4-chlorophenyl)-N-(2,4-dimeth…

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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)	4.97	8.49	-11.62	1	6	0	65	427.913	5	↓ MOL2 SDF SMILES Flexibase

20239131

Analogs

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Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-(4-chlorophenyl)-1-methyl-thieno[4,5-d]pyrazole-5-carboxamide N-(5-chloro-2,4-dimethoxy-phenyl…

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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)	5.58	9.06	-13.66	1	6	0	65	462.358	5	↓ MOL2 SDF SMILES Flexibase

20239134

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-chlorophenyl)-1-methyl-thieno[4,5-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone [3-(4-chlorophenyl)-1-methyl-thi…

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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)	3.37	7.2	-10.13	0	5	0	41	374.897	2	↓ MOL2 SDF SMILES Flexibase

20239137

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-chlorophenyl)-1-methyl-thieno[4,5-d]pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone [3-(4-chlorophenyl)-1-methyl-thi…

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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)	5.19	10.62	-11.34	0	5	0	41	454.958	3	↓ MOL2 SDF SMILES Flexibase

20239140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-chlorophenyl)-1-methyl-thieno[4,5-d]pyrazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone [3-(4-chlorophenyl)-1-methyl-thi…

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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)	5.72	11.11	-11.24	0	5	0	41	471.413	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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