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ZINC Item

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69852914

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,9-dioxaspiro[5.5]undecan-4-ol 1,9-dioxaspiro[5.5]undecan-4-ol

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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)	0.50	-0.15	-4.54	1	3	0	39	172.224	0	↓ MOL2 SDF SMILES Flexibase

69852916

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,9-dioxaspiro[5.5]undecan-4-ol 1,9-dioxaspiro[5.5]undecan-4-ol

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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)	0.50	-0.14	-4.54	1	3	0	39	172.224	0	↓ MOL2 SDF SMILES Flexibase

69853932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-methyl-1,9-dioxaspiro[5.5]undecan-4-amine (4R)-N-methyl-1,9-dioxaspiro[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)	0.92	2.13	-41.38	2	3	1	35	186.275	1	↓ MOL2 SDF SMILES Flexibase

69853934

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-methyl-1,9-dioxaspiro[5.5]undecan-4-amine (4S)-N-methyl-1,9-dioxaspiro[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)	0.92	2.13	-41.41	2	3	1	35	186.275	1	↓ MOL2 SDF SMILES Flexibase

69854243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-ethyl-1,9-dioxaspiro[5.5]undecan-4-amine (4R)-N-ethyl-1,9-dioxaspiro[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)	1.29	2.97	-40.22	2	3	1	35	200.302	2	↓ MOL2 SDF SMILES Flexibase

69854245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-ethyl-1,9-dioxaspiro[5.5]undecan-4-amine (4S)-N-ethyl-1,9-dioxaspiro[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)	1.29	2.97	-40.2	2	3	1	35	200.302	2	↓ MOL2 SDF SMILES Flexibase

69854439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-propyl-1,9-dioxaspiro[5.5]undecan-4-amine (4R)-N-propyl-1,9-dioxaspiro[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)	1.80	3.74	-41.08	2	3	1	35	214.329	3	↓ MOL2 SDF SMILES Flexibase

69854441

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-propyl-1,9-dioxaspiro[5.5]undecan-4-amine (4S)-N-propyl-1,9-dioxaspiro[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)	1.80	3.74	-41.08	2	3	1	35	214.329	3	↓ MOL2 SDF SMILES Flexibase

69854747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-chloro-1,9-dioxaspiro[5.5]undecane (4R)-4-chloro-1,9-dioxaspiro[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)	1.74	3.72	-3.05	0	2	0	18	190.67	0	↓ MOL2 SDF SMILES Flexibase

69854748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-chloro-1,9-dioxaspiro[5.5]undecane (4S)-4-chloro-1,9-dioxaspiro[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)	1.74	3.72	-3.05	0	2	0	18	190.67	0	↓ MOL2 SDF SMILES Flexibase

69900178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R,10R)-2-methyl-3,7-dioxaspiro[5.5]undecan-10-ol (2R,6R,10R)-2-methyl-3,7-dioxasp…

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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	0.62	-4.54	1	3	0	39	186.251	0	↓ MOL2 SDF SMILES Flexibase

69900182

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R,10R)-2-methyl-3,7-dioxaspiro[5.5]undecan-10-ol (2S,6R,10R)-2-methyl-3,7-dioxasp…

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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	0.26	-4.69	1	3	0	39	186.251	0	↓ MOL2 SDF SMILES Flexibase

69900188

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S,10R)-2-methyl-3,7-dioxaspiro[5.5]undecan-10-ol (2R,6S,10R)-2-methyl-3,7-dioxasp…

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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	0.26	-4.73	1	3	0	39	186.251	0	↓ MOL2 SDF SMILES Flexibase

69900190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S,10R)-2-methyl-3,7-dioxaspiro[5.5]undecan-10-ol (2S,6S,10R)-2-methyl-3,7-dioxasp…

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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	0.63	-4.53	1	3	0	39	186.251	0	↓ MOL2 SDF SMILES Flexibase

69900193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,10R)-2,2-dimethyl-3,7-dioxaspiro[5.5]undecan-10-ol (6R,10R)-2,2-dimethyl-3,7-dioxas…

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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)	1.31	1.19	-4.29	1	3	0	39	200.278	0	↓ MOL2 SDF SMILES Flexibase

69900197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,10R)-2,2-dimethyl-3,7-dioxaspiro[5.5]undecan-10-ol (6S,10R)-2,2-dimethyl-3,7-dioxas…

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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)	1.31	1.42	-4.14	1	3	0	39	200.278	0	↓ MOL2 SDF SMILES Flexibase

69900200

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,10S)-2,2-dimethyl-3,7-dioxaspiro[5.5]undecan-10-ol (6R,10S)-2,2-dimethyl-3,7-dioxas…

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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)	1.31	1.41	-4.14	1	3	0	39	200.278	0	↓ MOL2 SDF SMILES Flexibase

69900203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,10S)-2,2-dimethyl-3,7-dioxaspiro[5.5]undecan-10-ol (6S,10S)-2,2-dimethyl-3,7-dioxas…

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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)	1.31	1.19	-4.29	1	3	0	39	200.278	0	↓ MOL2 SDF SMILES Flexibase

69900205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R,10R)-2-isopropyl-3,7-dioxaspiro[5.5]undecan-10-ol (2S,6R,10R)-2-isopropyl-3,7-diox…

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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)	1.61	1.96	-4.35	1	3	0	39	214.305	1	↓ MOL2 SDF SMILES Flexibase

69900209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R,10R)-2-isopropyl-3,7-dioxaspiro[5.5]undecan-10-ol (2R,6R,10R)-2-isopropyl-3,7-diox…

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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)	1.61	1.68	-4.32	1	3	0	39	214.305	1	↓ MOL2 SDF SMILES Flexibase

69900213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S,10R)-2-isopropyl-3,7-dioxaspiro[5.5]undecan-10-ol (2S,6S,10R)-2-isopropyl-3,7-diox…

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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)	1.61	1.61	-4.42	1	3	0	39	214.305	1	↓ MOL2 SDF SMILES Flexibase

69900218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S,10R)-2-isopropyl-3,7-dioxaspiro[5.5]undecan-10-ol (2R,6S,10R)-2-isopropyl-3,7-diox…

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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)	1.61	2.04	-4.22	1	3	0	39	214.305	1	↓ MOL2 SDF SMILES Flexibase

69900221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R,10R)-2-ethyl-3,7-dioxaspiro[5.5]undecan-10-ol (2R,6R,10R)-2-ethyl-3,7-dioxaspi…

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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)	1.36	1.44	-4.44	1	3	0	39	200.278	1	↓ MOL2 SDF SMILES Flexibase

69900227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R,10R)-2-ethyl-3,7-dioxaspiro[5.5]undecan-10-ol (2S,6R,10R)-2-ethyl-3,7-dioxaspi…

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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)	1.36	1.08	-4.53	1	3	0	39	200.278	1	↓ MOL2 SDF SMILES Flexibase

69900231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S,10R)-2-ethyl-3,7-dioxaspiro[5.5]undecan-10-ol (2R,6S,10R)-2-ethyl-3,7-dioxaspi…

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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)	1.36	1.08	-4.58	1	3	0	39	200.278	1	↓ MOL2 SDF SMILES Flexibase

69900233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S,10R)-2-ethyl-3,7-dioxaspiro[5.5]undecan-10-ol (2S,6S,10R)-2-ethyl-3,7-dioxaspi…

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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)	1.36	1.45	-4.4	1	3	0	39	200.278	1	↓ MOL2 SDF SMILES Flexibase

69900237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R,10R)-2-propyl-3,7-dioxaspiro[5.5]undecan-10-ol (2R,6R,10R)-2-propyl-3,7-dioxasp…

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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)	1.92	2.22	-4.33	1	3	0	39	214.305	2	↓ MOL2 SDF SMILES Flexibase

69900241

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R,10R)-2-propyl-3,7-dioxaspiro[5.5]undecan-10-ol (2S,6R,10R)-2-propyl-3,7-dioxasp…

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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)	1.92	1.86	-4.46	1	3	0	39	214.305	2	↓ MOL2 SDF SMILES Flexibase

69900246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S,10R)-2-propyl-3,7-dioxaspiro[5.5]undecan-10-ol (2R,6S,10R)-2-propyl-3,7-dioxasp…

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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)	1.92	1.86	-4.46	1	3	0	39	214.305	2	↓ MOL2 SDF SMILES Flexibase

69900249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S,10R)-2-propyl-3,7-dioxaspiro[5.5]undecan-10-ol (2S,6S,10R)-2-propyl-3,7-dioxasp…

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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)	1.92	2.22	-4.29	1	3	0	39	214.305	2	↓ MOL2 SDF SMILES Flexibase

69900252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R,10R)-2-ethyl-2-methyl-3,7-dioxaspiro[5.5]undecan-10-ol (2R,6R,10R)-2-ethyl-2-methyl-3,7…

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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)	1.81	1.87	-4.08	1	3	0	39	214.305	1	↓ MOL2 SDF SMILES Flexibase

69900255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R,10R)-2-ethyl-2-methyl-3,7-dioxaspiro[5.5]undecan-10-ol (2S,6R,10R)-2-ethyl-2-methyl-3,7…

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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)	1.81	1.6	-4.39	1	3	0	39	214.305	1	↓ MOL2 SDF SMILES Flexibase

69900257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S,10R)-2-ethyl-2-methyl-3,7-dioxaspiro[5.5]undecan-10-ol (2R,6S,10R)-2-ethyl-2-methyl-3,7…

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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)	1.81	1.57	-4.32	1	3	0	39	214.305	1	↓ MOL2 SDF SMILES Flexibase

69900259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S,10R)-2-ethyl-2-methyl-3,7-dioxaspiro[5.5]undecan-10-ol (2S,6S,10R)-2-ethyl-2-methyl-3,7…

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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)	1.81	2.11	-3.94	1	3	0	39	214.305	1	↓ MOL2 SDF SMILES Flexibase

69900331

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S,10R)-2-methyl-3,7-dioxaspiro[5.5]undecan-10-amine (2R,6S,10R)-2-methyl-3,7-dioxasp…

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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	1.19	-47.12	3	3	1	46	186.275	0	↓ MOL2 SDF SMILES Flexibase

69900332

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S,10R)-2-methyl-3,7-dioxaspiro[5.5]undecan-10-amine (2S,6S,10R)-2-methyl-3,7-dioxasp…

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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	0.83	-48.92	3	3	1	46	186.275	0	↓ MOL2 SDF SMILES Flexibase

69900334

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R,10R)-2-methyl-3,7-dioxaspiro[5.5]undecan-10-amine (2R,6R,10R)-2-methyl-3,7-dioxasp…

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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	0.83	-48.72	3	3	1	46	186.275	0	↓ MOL2 SDF SMILES Flexibase

69900336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R,10R)-2-methyl-3,7-dioxaspiro[5.5]undecan-10-amine (2S,6R,10R)-2-methyl-3,7-dioxasp…

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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	1.2	-46.93	3	3	1	46	186.275	0	↓ MOL2 SDF SMILES Flexibase

69900340

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S,10R)-2-ethyl-2-methyl-3,7-dioxaspiro[5.5]undecan-10-amine (2R,6S,10R)-2-ethyl-2-methyl-3,7…

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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)	1.32	2.44	-46.84	3	3	1	46	214.329	1	↓ MOL2 SDF SMILES Flexibase

69900343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S,10R)-2-ethyl-2-methyl-3,7-dioxaspiro[5.5]undecan-10-amine (2S,6S,10R)-2-ethyl-2-methyl-3,7…

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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)	1.32	2.16	-49.1	3	3	1	46	214.329	1	↓ MOL2 SDF SMILES Flexibase

69900345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R,10R)-2-ethyl-2-methyl-3,7-dioxaspiro[5.5]undecan-10-amine (2R,6R,10R)-2-ethyl-2-methyl-3,7…

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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)	1.32	2.13	-48.47	3	3	1	46	214.329	1	↓ MOL2 SDF SMILES Flexibase

69900349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R,10R)-2-ethyl-2-methyl-3,7-dioxaspiro[5.5]undecan-10-amine (2S,6R,10R)-2-ethyl-2-methyl-3,7…

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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)	1.32	2.69	-46.18	3	3	1	46	214.329	1	↓ MOL2 SDF SMILES Flexibase

69900352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S,10R)-2-isopropyl-3,7-dioxaspiro[5.5]undecan-10-amine (2S,6S,10R)-2-isopropyl-3,7-diox…

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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)	1.12	2.53	-47.51	3	3	1	46	214.329	1	↓ MOL2 SDF SMILES Flexibase

69900354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S,10R)-2-isopropyl-3,7-dioxaspiro[5.5]undecan-10-amine (2R,6S,10R)-2-isopropyl-3,7-diox…

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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)	1.12	2.25	-48.88	3	3	1	46	214.329	1	↓ MOL2 SDF SMILES Flexibase

69900357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R,10R)-2-isopropyl-3,7-dioxaspiro[5.5]undecan-10-amine (2S,6R,10R)-2-isopropyl-3,7-diox…

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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)	1.12	2.19	-48.75	3	3	1	46	214.329	1	↓ MOL2 SDF SMILES Flexibase

69900359

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R,10R)-2-isopropyl-3,7-dioxaspiro[5.5]undecan-10-amine (2R,6R,10R)-2-isopropyl-3,7-diox…

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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)	1.12	2.61	-46.63	3	3	1	46	214.329	1	↓ MOL2 SDF SMILES Flexibase

69900360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,10R)-2,2-dimethyl-3,7-dioxaspiro[5.5]undecan-10-amine (6S,10R)-2,2-dimethyl-3,7-dioxas…

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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)	0.82	1.77	-47.09	3	3	1	46	200.302	0	↓ MOL2 SDF SMILES Flexibase

69900363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,10R)-2,2-dimethyl-3,7-dioxaspiro[5.5]undecan-10-amine (6R,10R)-2,2-dimethyl-3,7-dioxas…

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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)	0.82	2	-46.58	3	3	1	46	200.302	0	↓ MOL2 SDF SMILES Flexibase

69900365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,10S)-2,2-dimethyl-3,7-dioxaspiro[5.5]undecan-10-amine (6S,10S)-2,2-dimethyl-3,7-dioxas…

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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)	0.82	1.99	-46.56	3	3	1	46	200.302	0	↓ MOL2 SDF SMILES Flexibase

69900367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,10S)-2,2-dimethyl-3,7-dioxaspiro[5.5]undecan-10-amine (6R,10S)-2,2-dimethyl-3,7-dioxas…

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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)	0.82	1.77	-47.07	3	3	1	46	200.302	0	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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