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ZINC Item

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62954082

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decane-8-carbonyl)cyclohexanecarboxylic (1S,2R)-2-(8-azaspiro[4.5]decane…

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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)	2.95	9.29	-55.29	0	4	-1	60	292.399	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.95	7.31	-9.35	1	4	0	58	293.407	2	↓ MOL2 SDF SMILES Flexibase

62954083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(8-azaspiro[4.5]decane-8-carbonyl)cyclohexanecarboxylic (1R,2R)-2-(8-azaspiro[4.5]decane…

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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)	2.95	9.45	-60.83	0	4	-1	60	292.399	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.95	7.4	-9.95	1	4	0	58	293.407	2	↓ MOL2 SDF SMILES Flexibase

62954084

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(8-azaspiro[4.5]decane-8-carbonyl)cyclohexanecarboxylic (1S,2S)-2-(8-azaspiro[4.5]decane…

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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)	2.95	9.46	-57.17	0	4	-1	60	292.399	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.95	7.5	-9.96	1	4	0	58	293.407	2	↓ MOL2 SDF SMILES Flexibase

62954085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(8-azaspiro[4.5]decane-8-carbonyl)cyclohexanecarboxylic (1R,2S)-2-(8-azaspiro[4.5]decane…

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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)	2.95	9.49	-57.85	0	4	-1	60	292.399	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.95	7.74	-10.47	1	4	0	58	293.407	2	↓ MOL2 SDF SMILES Flexibase

62955243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(aminomethyl)cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [1-(aminomethyl)cyclohexyl]-(8-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)	2.34	6.3	-48.78	3	3	1	48	279.448	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.34	5.96	-7.76	2	3	0	46	278.44	2	↓ MOL2 SDF SMILES Flexibase

62958264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3S)-3-aminocyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,3S)-3-aminocyclohexyl]-(8-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)	1.96	6.21	-46.57	3	3	1	48	265.421	1	↓ MOL2 SDF SMILES Flexibase

62958265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3S)-3-aminocyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,3S)-3-aminocyclohexyl]-(8-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)	1.96	5.92	-38.87	3	3	1	48	265.421	1	↓ MOL2 SDF SMILES Flexibase

62958266

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3R)-3-aminocyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,3R)-3-aminocyclohexyl]-(8-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)	1.96	5.94	-39.06	3	3	1	48	265.421	1	↓ MOL2 SDF SMILES Flexibase

62958267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3R)-3-aminocyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,3R)-3-aminocyclohexyl]-(8-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)	1.96	6.17	-46.45	3	3	1	48	265.421	1	↓ MOL2 SDF SMILES Flexibase

62958313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-aminocyclohexyl)-(8-azaspiro[4.5]decan-8-yl)methanone (4-aminocyclohexyl)-(8-azaspiro[…

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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)	1.73	6.21	-51.36	3	3	1	48	265.421	1	↓ MOL2 SDF SMILES Flexibase

62958336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-aminocyclohexyl)-(8-azaspiro[4.5]decan-8-yl)methanone (1-aminocyclohexyl)-(8-azaspiro[…

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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	6.02	-47.8	3	3	1	48	265.421	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.94	6.07	-5.18	2	3	0	46	264.413	1	↓ MOL2 SDF SMILES Flexibase

62959366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(8-azaspiro[4.5]decane-8-carbonyl)cyclohexanecarbonitrile 1-(8-azaspiro[4.5]decane-8-carbo…

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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)	3.32	8.38	-6.29	0	3	0	44	274.408	1	↓ MOL2 SDF SMILES Flexibase

62959486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(8-azaspiro[4.5]decane-8-carbonyl)cyclohexanecarbothioamide 1-(8-azaspiro[4.5]decane-8-carbo…

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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	7.18	-4.51	2	3	0	46	308.491	2	↓ MOL2 SDF SMILES Flexibase

62961128

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3S,4R)-3-amino-4-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,3S,4R)-3-amino-4-methyl-cyc…

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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)	2.20	6.72	-46.98	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3S,4S)-3-amino-4-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,3S,4S)-3-amino-4-methyl-cyc…

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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)	2.20	6.91	-45.79	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3S,4R)-3-amino-4-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,3S,4R)-3-amino-4-methyl-cyc…

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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)	2.20	6.39	-49.53	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3S,4S)-3-amino-4-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,3S,4S)-3-amino-4-methyl-cyc…

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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)	2.20	6.59	-50.36	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961132

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3R,4S)-4-amino-3-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,3R,4S)-4-amino-3-methyl-cyc…

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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)	2.20	6.86	-40.88	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3S,4S)-4-amino-3-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,3S,4S)-4-amino-3-methyl-cyc…

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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)	2.20	6.6	-40.11	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961134

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3R,4S)-4-amino-3-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,3R,4S)-4-amino-3-methyl-cyc…

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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)	2.20	6.7	-50.64	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961135

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3S,4S)-4-amino-3-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,3S,4S)-4-amino-3-methyl-cyc…

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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)	2.20	6.91	-51.34	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R,3S)-3-amino-2-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,2R,3S)-3-amino-2-methyl-cyc…

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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)	2.44	6.56	-54.7	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S,3S)-3-amino-2-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,2S,3S)-3-amino-2-methyl-cyc…

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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)	2.44	6.76	-47.48	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961143

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R,3S)-3-amino-2-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,2R,3S)-3-amino-2-methyl-cyc…

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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)	2.44	6.35	-37.62	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961144

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S,3S)-3-amino-2-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,2S,3S)-3-amino-2-methyl-cyc…

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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)	2.44	6.54	-38.32	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961145

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R,3R)-2-amino-3-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,2R,3R)-2-amino-3-methyl-cyc…

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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)	2.44	7.35	-52.05	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961146

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R,3S)-2-amino-3-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,2R,3S)-2-amino-3-methyl-cyc…

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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)	2.44	6.78	-39.87	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961147

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R,3R)-2-amino-3-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,2R,3R)-2-amino-3-methyl-cyc…

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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)	2.44	6.71	-39.32	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961148

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R,3S)-2-amino-3-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,2R,3S)-2-amino-3-methyl-cyc…

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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)	2.44	6.92	-39.95	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961149

Analogs

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Popular Name: [(1S,2R,5S)-5-amino-2-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,2R,5S)-5-amino-2-methyl-cyc…

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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)	2.20	6.43	-47.15	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961150

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S,5S)-5-amino-2-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,2S,5S)-5-amino-2-methyl-cyc…

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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)	2.20	6.76	-54.19	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961151

Analogs

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Popular Name: [(1S,2R,5R)-5-amino-2-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,2R,5R)-5-amino-2-methyl-cyc…

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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)	2.20	6.48	-49.6	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961152

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S,5R)-5-amino-2-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,2S,5R)-5-amino-2-methyl-cyc…

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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)	2.20	6.26	-51.06	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961153

Analogs

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Popular Name: [(1R,2S,6R)-2-amino-6-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,2S,6R)-2-amino-6-methyl-cyc…

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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)	2.44	6.66	-47.15	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S,6S)-2-amino-6-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,2S,6S)-2-amino-6-methyl-cyc…

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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)	2.44	6.46	-40.87	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961155

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R,6R)-2-amino-6-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,2R,6R)-2-amino-6-methyl-cyc…

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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)	2.44	6.49	-39.49	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R,6S)-2-amino-6-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,2R,6S)-2-amino-6-methyl-cyc…

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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)	2.44	6.65	-41.7	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R,4R)-4-amino-2-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,2R,4R)-4-amino-2-methyl-cyc…

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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)	2.20	6.5	-41.2	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961163

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S,4R)-4-amino-2-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,2S,4R)-4-amino-2-methyl-cyc…

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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)	2.20	6.26	-41.36	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R,4S)-4-amino-2-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,2R,4S)-4-amino-2-methyl-cyc…

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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)	2.20	6.41	-52.21	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S,4S)-4-amino-2-methyl-cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,2S,4S)-4-amino-2-methyl-cyc…

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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)	2.20	6.76	-52.02	3	3	1	48	279.448	1	↓ MOL2 SDF SMILES Flexibase

62961166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S)-2-aminocyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,2S)-2-aminocyclohexyl]-(8-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)	2.20	6.18	-43.37	3	3	1	48	265.421	1	↓ MOL2 SDF SMILES Flexibase

62961167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R)-2-aminocyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,2R)-2-aminocyclohexyl]-(8-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)	2.20	6.25	-40.75	3	3	1	48	265.421	1	↓ MOL2 SDF SMILES Flexibase

62961168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S)-2-aminocyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,2S)-2-aminocyclohexyl]-(8-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)	2.20	6.3	-39.77	3	3	1	48	265.421	1	↓ MOL2 SDF SMILES Flexibase

62961169

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R)-2-aminocyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,2R)-2-aminocyclohexyl]-(8-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)	2.20	6.12	-40.22	3	3	1	48	265.421	1	↓ MOL2 SDF SMILES Flexibase

62961188

Analogs

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Popular Name: [(1R,3S)-3-(aminomethyl)cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,3S)-3-(aminomethyl)cyclohex…

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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)	2.27	6.96	-49.28	3	3	1	48	279.448	2	↓ MOL2 SDF SMILES Flexibase

62961189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3S)-3-(aminomethyl)cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,3S)-3-(aminomethyl)cyclohex…

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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)	2.27	6.72	-39.54	3	3	1	48	279.448	2	↓ MOL2 SDF SMILES Flexibase

62961190

Analogs

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Popular Name: [(1R,3R)-3-(aminomethyl)cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,3R)-3-(aminomethyl)cyclohex…

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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)	2.27	6.7	-39.84	3	3	1	48	279.448	2	↓ MOL2 SDF SMILES Flexibase

62961191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3R)-3-(aminomethyl)cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1S,3R)-3-(aminomethyl)cyclohex…

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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)	2.27	6.91	-49.25	3	3	1	48	279.448	2	↓ MOL2 SDF SMILES Flexibase

62961193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3S)-3-(2-aminoethyl)cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [(1R,3S)-3-(2-aminoethyl)cyclohe…

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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	7.57	-48.03	3	3	1	48	293.475	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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