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)	3.51	10.38	-14.75	0	5	0	41	410.518	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.51	12.65	-41.66	1	5	1	43	411.526	4	↓ MOL2 SDF SMILES Flexibase

33221032

Analogs

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Popular Name: 1-(2-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxa 1-(2-fluorophenyl)-N-[(3,4,5-tri…

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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)	3.11	8.78	-18.27	1	7	0	75	425.46	7	↓ MOL2 SDF SMILES Flexibase

33221577

Analogs

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Popular Name: N-[(1R)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole- N-[(1R)-1-(3-fluoro-4-methoxy-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)	4.18	9.88	-16.91	1	5	0	56	397.425	5	↓ MOL2 SDF SMILES Flexibase

33221578

Analogs

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Popular Name: N-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole- N-[(1S)-1-(3-fluoro-4-methoxy-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)	4.18	9.87	-17.21	1	5	0	56	397.425	5	↓ MOL2 SDF SMILES Flexibase

33223404

Analogs

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Popular Name: 1-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole 1-(2-fluorophenyl)-N-methyl-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)	4.18	12.81	-16.37	0	5	0	41	418.516	5	↓ MOL2 SDF SMILES Flexibase

33224435

Analogs

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Popular Name: N-[2-(2,6-dichloroanilino)-2-oxo-ethyl]-N-ethyl-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyraz N-[2-(2,6-dichloroanilino)-2-oxo…

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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)	5.13	12.71	-21.63	1	6	0	67	475.351	6	↓ MOL2 SDF SMILES Flexibase

33224585

Analogs

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Popular Name: N'-(4-ethoxy-3-methoxy-benzoyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbohydra N'-(4-ethoxy-3-methoxy-benzoyl)-…

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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)	2.89	8.52	-20.77	2	8	0	94	438.459	7	↓ MOL2 SDF SMILES Flexibase

33224901

Analogs

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Popular Name: N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-car N'-[(2R)-2-(4-fluorophenoxy)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)	3.37	9.62	-20.97	2	7	0	85	426.423	6	↓ MOL2 SDF SMILES Flexibase

33224902

Analogs

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Popular Name: N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-car N'-[(2S)-2-(4-fluorophenoxy)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)	3.37	9.62	-20.99	2	7	0	85	426.423	6	↓ MOL2 SDF SMILES Flexibase

51482284

Analogs

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Popular Name: N-[3-(hydroxymethyl)phenyl]-1-(o-tolyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide N-[3-(hydroxymethyl)phenyl]-1-(o…

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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	7.76	-14.49	2	5	0	67	347.418	4	↓ MOL2 SDF SMILES Flexibase

52033011

Analogs

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Popular Name: 3-cyano-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]thiophene-2-carboxamide 3-cyano-N-[(1-phenyl-5,6-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)	2.73	8.81	-17.96	1	5	0	71	348.431	4	↓ MOL2 SDF SMILES Flexibase

20119615

Analogs

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Popular Name: 3-[[4-(morpholinomethyl)-1-piperidyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole 3-[[4-(morpholinomethyl)-1-piper…

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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)	1.67	5.77	-36.12	2	5	1	46	305.446	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.67	7.86	-113.39	3	5	2	47	306.454	4	↓ MOL2 SDF SMILES Flexibase

71498556

Analogs

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Popular Name: N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2- N-methyl-N-(1,4,5,6-tetrahydrocy…

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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)	3.26	9.84	-10.29	1	5	0	58	325.338	6	↓ MOL2 SDF SMILES Flexibase

52860994

Analogs

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Popular Name: 3-(piperazin-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole 3-(piperazin-1-ylmethyl)-1,4,5,6…

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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)	0.32	1.98	-39.36	3	4	1	49	207.301	2	↓ MOL2 SDF SMILES Flexibase

11532266

Analogs

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Popular Name: 8-phenyl-N'-pyrazin-2-ylcarbonyl-7,8-diazabicyclo[3.3.0]octa-6,9-diene-6-carbohydrazide 8-phenyl-N'-pyrazin-2-ylcarbonyl…

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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	-3.93	-14.88	2	8	0	102	348.366	4	↓ MOL2 SDF SMILES Flexibase

11802314

Analogs

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Popular Name: 1-Methyl-1,4,5,6-tetrahydro-cyclopentapyrazole-3-carboxylic acid 1-Methyl-1,4,5,6-tetrahydro-cycl…

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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)	0.86	3.8	-62.38	0	4	-1	58	165.172	1	↓ MOL2 SDF SMILES Flexibase

11802316

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.38	-4.29	-72.4	0	6	-1	92	269.302	2	↓ MOL2 SDF SMILES Flexibase

11802318

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.38	-4.31	-69.1	0	6	-1	92	269.302	2	↓ MOL2 SDF SMILES Flexibase

11802320

Analogs

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Popular Name: 1-(m-tolyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(m-tolyl)-5,6-dihydro-4H-cyclo…

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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)	2.77	1.21	-65.61	0	4	-1	58	241.27	2	↓ MOL2 SDF SMILES Flexibase

11802322

Analogs

22150270
34320756
36666818
36666866
36984520

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Popular Name: 1-(4-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid 1-(4-methylphenyl)-1,4,5,6-tetra…

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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)	2.58	1.23	-64.76	0	4	-1	58	241.27	2	↓ MOL2 SDF SMILES Flexibase

11802324

Analogs

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Popular Name: 1-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(3-chlorophenyl)-5,6-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)	3.00	0.75	-60.46	0	4	-1	58	261.688	2	↓ MOL2 SDF SMILES Flexibase

11802326

Analogs

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Popular Name: 1-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(4-chlorophenyl)-5,6-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)	2.81	0.77	-61.06	0	4	-1	58	261.688	2	↓ MOL2 SDF SMILES Flexibase

11802328

Analogs

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Popular Name: 1-(3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(3-methoxyphenyl)-5,6-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)	2.37	0.91	-68.89	0	5	-1	67	257.269	3	↓ MOL2 SDF SMILES Flexibase

11802330

Analogs

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Popular Name: 1-(4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(4-methoxyphenyl)-5,6-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)	2.19	0.92	-64.51	0	5	-1	67	257.269	3	↓ MOL2 SDF SMILES Flexibase

11802332

Analogs

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Popular Name: 1-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(3,4-dimethylphenyl)-5,6-dihyd…

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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)	3.17	1.5	-65.54	0	4	-1	58	255.297	2	↓ MOL2 SDF SMILES Flexibase

11802333

Analogs

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(3-chloro-4-methyl-phenyl)-5,6…

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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)	3.40	1.06	-65.16	0	4	-1	58	275.715	2	↓ MOL2 SDF SMILES Flexibase

11802335

Analogs

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Popular Name: 1-(3,5-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(3,5-dimethylphenyl)-5,6-dihyd…

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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)	3.38	1.56	-65.12	0	4	-1	58	255.297	2	↓ MOL2 SDF SMILES Flexibase

11802338

Analogs

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Popular Name: 1-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(4-bromophenyl)-5,6-dihydro-4H…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.94	0.15	-60.82	0	4	-1	58	306.139	2	↓ MOL2 SDF SMILES Flexibase

11802340

Analogs

22150270

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Popular Name: 1-(4-ethylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid 1-(4-ethylphenyl)-1H,4H,5H,6H-cy…

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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)	3.04	1.39	-64.38	0	4	-1	58	255.297	3	↓ MOL2 SDF SMILES Flexibase

11802341

Analogs

22150270

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Popular Name: 1-(4-tert-butylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(4-tert-butylphenyl)-5,6-dihyd…

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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)	3.84	2.06	-63.77	0	4	-1	58	283.351	3	↓ MOL2 SDF SMILES Flexibase

11802343

Analogs

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Popular Name: 1-(3-chloro-4-methoxy-phenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(3-chloro-4-methoxy-phenyl)-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)	3.00	0.82	-65.82	0	5	-1	67	291.714	3	↓ MOL2 SDF SMILES Flexibase

11802346

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(4-ethoxyphenyl)-5,6-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)	2.56	0.94	-64.13	0	5	-1	67	271.296	4	↓ MOL2 SDF SMILES Flexibase

11802348

Analogs

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Popular Name: 1-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(3,4-dichlorophenyl)-5,6-dihyd…

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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)	3.63	0.61	-57.26	0	4	-1	58	296.133	2	↓ MOL2 SDF SMILES Flexibase

11802351

Analogs

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Popular Name: 1-(1,3-benzoxazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(1,3-benzoxazol-2-yl)-5,6-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)	2.47	-1.43	-63.37	0	6	-1	84	268.252	2	↓ MOL2 SDF SMILES Flexibase

11802353

Analogs

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Popular Name: 1-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(1,3-benzothiazol-2-yl)-5,6-di…

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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)	3.11	-0.72	-61.43	0	5	-1	71	284.32	2	↓ MOL2 SDF SMILES Flexibase

11806416

Analogs

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Popular Name: 6-(4-fluorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7-diazabicyclo[3.3.0]octa-7,9-diene-8-carbox 6-(4-fluorophenyl)-N-(5-phenyl-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)	4.25	0.73	-16.12	1	6	0	73	405.458	4	↓ MOL2 SDF SMILES Flexibase

11817279

Analogs

11817280

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Popular Name: (2S)-1-(benzyl-methyl-amino)-3-[2-methoxy-5-[(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylamino (2S)-1-(benzyl-methyl-amino)-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)	2.60	-3.67	-105.14	5	7	2	88	452.599	12	↓ MOL2 SDF SMILES Flexibase

11817280

Analogs

11817279

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Popular Name: (2R)-1-(benzyl-methyl-amino)-3-[2-methoxy-5-[(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylamino (2R)-1-(benzyl-methyl-amino)-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)	2.60	-3.67	-108.47	5	7	2	88	452.599	12	↓ MOL2 SDF SMILES Flexibase

11818665

Analogs

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Popular Name: N-(3-dimethylaminopropyl)-N-[(1-indan-2-yl-4-piperidyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazo N-(3-dimethylaminopropyl)-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)	3.54	0.09	-92.26	3	6	2	58	451.659	8	↓ MOL2 SDF SMILES Flexibase

11818859

Analogs

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Popular Name: 1-[2-(1-piperidyl)ethyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)triazole-4-carboxamide 1-[2-(1-piperidyl)ethyl]-N-(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)	0.90	5.23	-48.32	3	8	1	93	344.443	6	↓ MOL2 SDF SMILES Flexibase

11818895

Analogs

11818896

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Popular Name: N-[(1R)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-car N-[(1R)-1-[4-methyl-2-(4-pyridyl…

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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)	1.47	5.69	-13.01	2	7	0	96	348.41	4	↓ MOL2 SDF SMILES Flexibase

11818896

Analogs

11818895

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Popular Name: N-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-car N-[(1S)-1-[4-methyl-2-(4-pyridyl…

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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)	1.47	5.71	-13.02	2	7	0	96	348.41	4	↓ MOL2 SDF SMILES Flexibase

11818980

Analogs

11818981

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Popular Name: (3R)-N-[4-(2-furyl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-3-carbox (3R)-N-[4-(2-furyl)phenyl]-1-(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)	3.17	8.89	-14.95	2	7	0	91	404.47	4	↓ MOL2 SDF SMILES Flexibase

11818981

Analogs

11818980

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Popular Name: (3S)-N-[4-(2-furyl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-3-carbox (3S)-N-[4-(2-furyl)phenyl]-1-(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)	3.17	8.9	-14.92	2	7	0	91	404.47	4	↓ MOL2 SDF SMILES Flexibase

11819185

Analogs

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Popular Name: 1-(4-phenylpiperazin-1-yl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4-piperidyl]pro 1-(4-phenylpiperazin-1-yl)-3-[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)	3.09	9.84	-19.34	1	7	0	73	435.572	5	↓ MOL2 SDF SMILES Flexibase

11819345

Analogs

11819346

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Popular Name: ethyl 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)	3.96	12.78	-11.99	1	6	0	75	409.53	8	↓ MOL2 SDF SMILES Flexibase

11819346

Analogs

11819345

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Popular Name: ethyl 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)	3.96	12.79	-11.8	1	6	0	75	409.53	8	↓ MOL2 SDF SMILES Flexibase

11819550

Analogs

11819551

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Popular Name: [(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methano [(2R)-2-[(4-fluorophenyl)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)	2.45	7.55	-11.97	1	5	0	58	329.375	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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