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ZINC Item

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62670093

Analogs

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Popular Name: 3-piperazin-1-yl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 3-piperazin-1-yl-2,4,6,7-tetrahy…

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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)	-0.58	0.29	-54.11	3	6	1	83	257.339	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.58	-0.92	-14.8	2	6	0	78	256.331	1	↓ MOL2 SDF SMILES Flexibase

41070300

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxa N-[(3R)-1,1-dioxothiolan-3-yl]-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.08	-2.14	-27.24	1	8	0	115	347.418	2	↓ MOL2 SDF SMILES Flexibase

41070302

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxa N-[(3S)-1,1-dioxothiolan-3-yl]-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.08	-2.12	-26.9	1	8	0	115	347.418	2	↓ MOL2 SDF SMILES Flexibase

41070304

Analogs

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Popular Name: N,N-diethyl-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N,N-diethyl-1-methyl-5,5-dioxo-6…

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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)	0.39	3.17	-20.5	0	6	0	72	285.369	3	↓ MOL2 SDF SMILES Flexibase

41070306

Analogs

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Popular Name: (1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)-morpholino-methanone (1-methyl-5,5-dioxo-6,7-dihydro-…

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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)	-0.51	0.77	-20.6	0	7	0	82	299.352	1	↓ MOL2 SDF SMILES Flexibase

41070308

Analogs

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Popular Name: N-(2-furylmethyl)-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-(2-furylmethyl)-1-methyl-5,5-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.05	0.9	-20.33	1	7	0	94	309.347	3	↓ MOL2 SDF SMILES Flexibase

41070310

Analogs

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Popular Name: N-(4-cyanophenyl)-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-(4-cyanophenyl)-1-methyl-5,5-d…

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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)	0.85	3.07	-21.66	1	7	0	105	330.369	2	↓ MOL2 SDF SMILES Flexibase

41070312

Analogs

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-c N-(2,3-dihydro-1,4-benzodioxin-6…

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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)	0.60	1.84	-24.28	1	8	0	100	363.395	2	↓ MOL2 SDF SMILES Flexibase

41070314

Analogs

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Popular Name: N-cyclopropyl-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-cyclopropyl-1-methyl-5,5-dioxo…

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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)	-0.24	0.65	-19.61	1	6	0	81	269.326	2	↓ MOL2 SDF SMILES Flexibase

41070316

Analogs

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Popular Name: 1-methyl-N-(o-tolyl)-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide 1-methyl-N-(o-tolyl)-5,5-dioxo-6…

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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)	1.50	3.55	-20.86	1	6	0	81	319.386	2	↓ MOL2 SDF SMILES Flexibase

41070317

Analogs

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Popular Name: N-(2-methoxyethyl)-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-(2-methoxyethyl)-1-methyl-5,5-…

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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)	-0.62	-1.14	-20.79	1	7	0	90	287.341	4	↓ MOL2 SDF SMILES Flexibase

41070319

Analogs

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Popular Name: [4-(furan-2-carbonyl)piperazin-1-yl]-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-y [4-(furan-2-carbonyl)piperazin-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.18	3.13	-25.17	0	9	0	106	392.437	2	↓ MOL2 SDF SMILES Flexibase

41070321

Analogs

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Popular Name: 1-methyl-5,5-dioxo-N-(2-pyridylmethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide 1-methyl-5,5-dioxo-N-(2-pyridylm…

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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)	-0.37	0.93	-21.7	1	7	0	94	320.374	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.37	1.34	-47.02	2	7	1	95	321.382	3	↓ MOL2 SDF SMILES Flexibase

41070323

Analogs

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Popular Name: 1-methyl-5,5-dioxo-N-(3-pyridylmethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide 1-methyl-5,5-dioxo-N-(3-pyridylm…

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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)	-0.44	0.99	-21	1	7	0	94	320.374	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.44	1.46	-49.95	2	7	1	95	321.382	3	↓ MOL2 SDF SMILES Flexibase

41070325

Analogs

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Popular Name: [4-(2-fluorophenyl)piperazin-1-yl]-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl) [4-(2-fluorophenyl)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)	1.35	5.77	-21.21	0	7	0	76	392.456	2	↓ MOL2 SDF SMILES Flexibase

41070327

Analogs

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Popular Name: [4-(4-fluorophenyl)piperazin-1-yl]-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl) [4-(4-fluorophenyl)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)	1.39	5.3	-21.66	0	7	0	76	392.456	2	↓ MOL2 SDF SMILES Flexibase

41070329

Analogs

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Popular Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)met 3,4-dihydro-1H-isoquinolin-2-yl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.03	5.31	-20.96	0	6	0	72	345.424	1	↓ MOL2 SDF SMILES Flexibase

41070331

Analogs

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Popular Name: (1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone (1-methyl-5,5-dioxo-6,7-dihydro-…

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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	5.23	-20.91	0	7	0	76	374.466	2	↓ MOL2 SDF SMILES Flexibase

41070333

Analogs

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Popular Name: 1-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-car 1-methyl-N-(4-methyl-1,3-benzoth…

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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)	2.05	4.11	-23.08	1	7	0	94	376.463	2	↓ MOL2 SDF SMILES Flexibase

41070335

Analogs

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Popular Name: 1-methyl-5,5-dioxo-N-[(4-sulfamoylphenyl)methyl]-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxam 1-methyl-5,5-dioxo-N-[(4-sulfamo…

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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)	-0.51	-2.26	-26.98	3	9	0	141	398.466	4	↓ MOL2 SDF SMILES Flexibase

41070336

Analogs

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Popular Name: 1-methyl-5,5-dioxo-N-(8-quinolyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide 1-methyl-5,5-dioxo-N-(8-quinolyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.05	3.24	-23.56	1	7	0	94	356.407	2	↓ MOL2 SDF SMILES Flexibase

41070338

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbox N-[(3,4-dimethoxyphenyl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.44	1.97	-22.75	1	8	0	100	379.438	5	↓ MOL2 SDF SMILES Flexibase

41070340

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-[(4-fluorophenyl)methyl]-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.96	2.84	-19.68	1	6	0	81	337.376	3	↓ MOL2 SDF SMILES Flexibase

41070342

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxa N-(1,3-benzodioxol-5-ylmethyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.69	1.44	-21.93	1	8	0	100	363.395	3	↓ MOL2 SDF SMILES Flexibase

41070344

Analogs

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Popular Name: 1-methyl-N-[(5-methyl-2-furyl)methyl]-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxami 1-methyl-N-[(5-methyl-2-furyl)me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.27	1.69	-20.53	1	7	0	94	323.374	3	↓ MOL2 SDF SMILES Flexibase

41070346

Analogs

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Popular Name: N-(5-fluoro-2-methyl-phenyl)-5,5-dioxo-1-phenyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxami N-(5-fluoro-2-methyl-phenyl)-5,5…

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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)	2.91	6.9	-19.72	1	6	0	81	399.447	3	↓ MOL2 SDF SMILES Flexibase

41070348

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-5,5-dioxo-1-phenyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-(2,6-dimethylphenyl)-5,5-dioxo…

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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	7.64	-18.28	1	6	0	81	395.484	3	↓ MOL2 SDF SMILES Flexibase

41070350

Analogs

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Popular Name: N-(4-cyanophenyl)-5,5-dioxo-1-phenyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-(4-cyanophenyl)-5,5-dioxo-1-ph…

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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)	2.12	6.31	-19.28	1	7	0	105	392.44	3	↓ MOL2 SDF SMILES Flexibase

41070352

Analogs

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Popular Name: N-(2-methoxyethyl)-5,5-dioxo-1-(2-pyridyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-(2-methoxyethyl)-5,5-dioxo-1-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.18	1.96	-18.93	1	8	0	103	350.4	5	↓ MOL2 SDF SMILES Flexibase

41070354

Analogs

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Popular Name: 5,5-dioxo-1-(2-pyridyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazo 5,5-dioxo-1-(2-pyridyl)-N-[[(2S)…

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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)	0.57	3.16	-18.89	1	8	0	103	376.438	4	↓ MOL2 SDF SMILES Flexibase

41070356

Analogs

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Popular Name: 5,5-dioxo-1-(2-pyridyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazo 5,5-dioxo-1-(2-pyridyl)-N-[[(2R)…

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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)	0.57	3.19	-18.68	1	8	0	103	376.438	4	↓ MOL2 SDF SMILES Flexibase

41070360

Analogs

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Popular Name: N-(5-methylthiazol-2-yl)-5,5-dioxo-1-(2-pyridyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxam N-(5-methylthiazol-2-yl)-5,5-dio…

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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)	1.17	5.15	-22.58	1	8	0	107	389.462	3	↓ MOL2 SDF SMILES Flexibase

41070362

Analogs

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Popular Name: 1-(2-fluorophenyl)-N-(5-methylisoxazol-3-yl)-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-ca 1-(2-fluorophenyl)-N-(5-methylis…

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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)	1.53	4.87	-21.82	1	8	0	107	390.396	3	↓ MOL2 SDF SMILES Flexibase

41070387

Analogs

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Popular Name: (1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)-(1-piperidyl)methanone (1-methyl-5,5-dioxo-6,7-dihydro-…

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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)	0.55	3.2	-20.27	0	6	0	72	297.38	1	↓ MOL2 SDF SMILES Flexibase

41070389

Analogs

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Popular Name: N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-[2-(1H-indol-3-yl)ethyl]-1-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)	1.35	3.61	-23.81	2	7	0	97	372.45	4	↓ MOL2 SDF SMILES Flexibase

41070391

Analogs

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Popular Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-c N-[(1-ethylbenzimidazol-2-yl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.84	3.98	-23.22	1	8	0	99	387.465	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.84	4.49	-40.63	2	8	1	100	388.473	4	↓ MOL2 SDF SMILES Flexibase

41070393

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-N,1-dimethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbox N-[(4-methoxyphenyl)methyl]-N,1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.10	4.48	-22.61	0	7	0	82	363.439	4	↓ MOL2 SDF SMILES Flexibase

41070395

Analogs

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Popular Name: indolin-1-yl-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone indolin-1-yl-(1-methyl-5,5-dioxo…

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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)	1.33	5	-23.33	0	6	0	72	331.397	1	↓ MOL2 SDF SMILES Flexibase

41070397

Analogs

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Popular Name: 1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-car 1-methyl-N-(5-methyl-1,3,4-thiad…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.47	1.07	-27.18	1	8	0	107	327.391	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.41	-0.75	-68.01	0	8	-1	113	326.383	2	↓ MOL2 SDF SMILES Flexibase

41070399

Analogs

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Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carb N-(5-ethyl-1,3,4-thiadiazol-2-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.10	1.82	-26.55	1	8	0	107	341.418	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.17	0.01	-67.89	0	8	-1	113	340.41	3	↓ MOL2 SDF SMILES Flexibase

41070401

Analogs

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Popular Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3- N-(5-isopropyl-1,3,4-thiadiazol-…

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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)	0.58	2.43	-26.23	1	8	0	107	355.445	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.65	0.61	-68.11	0	8	-1	113	354.437	3	↓ MOL2 SDF SMILES Flexibase

41070403

Analogs

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Popular Name: 1-methyl-5,5-dioxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-car 1-methyl-5,5-dioxo-N-(5-propyl-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.60	2.59	-26.17	1	8	0	107	355.445	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.67	0.78	-67.52	0	8	-1	113	354.437	4	↓ MOL2 SDF SMILES Flexibase

41070405

Analogs

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Popular Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-c N-(5-isobutyl-1,3,4-thiadiazol-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.84	3.18	-26.11	1	8	0	107	369.472	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.91	1.36	-67.97	0	8	-1	113	368.464	4	↓ MOL2 SDF SMILES Flexibase

41070407

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Popular Name: 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-car 1-methyl-N-(2-methyl-1,3-benzoth…

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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)	1.22	2.8	-22.56	1	7	0	94	376.463	2	↓ MOL2 SDF SMILES Flexibase

41070409

Analogs

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Popular Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c] N-(3-cyano-4,5,6,7-tetrahydroben…

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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)	1.74	4.73	-19.78	1	7	0	105	390.49	2	↓ MOL2 SDF SMILES Flexibase

41070413

Analogs

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Popular Name: (5,5-dioxo-1-phenyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)-indolin-1-yl-methanone (5,5-dioxo-1-phenyl-6,7-dihydro-…

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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)	2.61	8.25	-20.22	0	6	0	72	393.468	2	↓ MOL2 SDF SMILES Flexibase

41070414

Analogs

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Popular Name: 5,5-dioxo-1-phenyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide 5,5-dioxo-1-phenyl-6,7-dihydro-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)	0.30	0.7	-17.46	2	6	0	95	291.332	2	↓ MOL2 SDF SMILES Flexibase

41070416

Analogs

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Popular Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-5,5-dioxo-1-(2-pyridyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole- N-(5-methyl-1,3,4-thiadiazol-2-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)	0.32	4.2	-24.38	1	9	0	120	390.45	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.39	2.27	-63.38	0	9	-1	126	389.442	3	↓ MOL2 SDF SMILES Flexibase

41070418

Analogs

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Popular Name: 5,5-dioxo-1-(2-pyridyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide 5,5-dioxo-1-(2-pyridyl)-6,7-dihy…

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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)	-0.18	0.54	-18.13	2	7	0	108	292.32	2	↓ MOL2 SDF SMILES Flexibase

41070424

Analogs

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Popular Name: N-(1-benzylpyrazol-4-yl)-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-(1-benzylpyrazol-4-yl)-1-methy…

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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	4.27	-25.33	1	8	0	99	385.449	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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