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ZINC Item

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53924557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]-4-methyl-cyclohexanone (2S,4R)-2-[[(2R)-2-ethylpyrrolid…

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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)	2.57	9.07	-33.7	1	2	1	22	224.368	3	↓ MOL2 SDF SMILES Flexibase

53924558

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]-4-methyl-cyclohexanone (2S,4R)-2-[[(2S)-2-ethylpyrrolid…

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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)	2.57	9.23	-29.48	1	2	1	22	224.368	3	↓ MOL2 SDF SMILES Flexibase

53924559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-ethyl-2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]cyclohexanone (2S,4R)-4-ethyl-2-[[(2S)-2-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)	3.25	9.85	-29.26	1	2	1	22	238.395	4	↓ MOL2 SDF SMILES Flexibase

53924560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-ethyl-2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]cyclohexanone (2S,4S)-4-ethyl-2-[[(2S)-2-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)	3.25	8.71	-34.25	1	2	1	22	238.395	4	↓ MOL2 SDF SMILES Flexibase

53924561

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-ethyl-2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]cyclohexanone (2R,4R)-4-ethyl-2-[[(2S)-2-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)	3.25	9.26	-33.62	1	2	1	22	238.395	4	↓ MOL2 SDF SMILES Flexibase

53924562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-ethyl-2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]cyclohexanone (2R,4S)-4-ethyl-2-[[(2S)-2-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)	3.25	9.4	-29.89	1	2	1	22	238.395	4	↓ MOL2 SDF SMILES Flexibase

53924563

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]-4-propyl-cyclohexanone (2S,4R)-2-[[(2S)-2-ethylpyrrolid…

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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)	3.82	10.11	-29.27	1	2	1	22	252.422	5	↓ MOL2 SDF SMILES Flexibase

53924564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]-4-propyl-cyclohexanone (2S,4S)-2-[[(2S)-2-ethylpyrrolid…

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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)	3.82	10.21	-33.85	1	2	1	22	252.422	5	↓ MOL2 SDF SMILES Flexibase

53924565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]-4-propyl-cyclohexanone (2R,4R)-2-[[(2S)-2-ethylpyrrolid…

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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)	3.82	10.02	-33.95	1	2	1	22	252.422	5	↓ MOL2 SDF SMILES Flexibase

53924566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]-4-propyl-cyclohexanone (2R,4S)-2-[[(2S)-2-ethylpyrrolid…

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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)	3.82	10.48	-34.35	1	2	1	22	252.422	5	↓ MOL2 SDF SMILES Flexibase

53924567

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-tert-butyl-2-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[(2R)-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)	3.90	10.47	-34.77	1	2	1	22	266.449	4	↓ MOL2 SDF SMILES Flexibase

53924568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-tert-butyl-2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[(2S)-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)	3.90	10.62	-30.4	1	2	1	22	266.449	4	↓ MOL2 SDF SMILES Flexibase

53924573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-methyl-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclohexanone (2S,4R)-4-methyl-2-[[(2S)-2-meth…

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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)	2.04	7.94	-34.84	1	2	1	22	210.341	2	↓ MOL2 SDF SMILES Flexibase

53924574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-methyl-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclohexanone (2S,4S)-4-methyl-2-[[(2S)-2-meth…

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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)	2.04	7.41	-33.62	1	2	1	22	210.341	2	↓ MOL2 SDF SMILES Flexibase

53924575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-methyl-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclohexanone (2R,4R)-4-methyl-2-[[(2S)-2-meth…

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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)	2.04	8.09	-33.58	1	2	1	22	210.341	2	↓ MOL2 SDF SMILES Flexibase

53924576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-methyl-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclohexanone (2R,4S)-4-methyl-2-[[(2S)-2-meth…

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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)	2.04	8.11	-29.13	1	2	1	22	210.341	2	↓ MOL2 SDF SMILES Flexibase

53924577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-ethyl-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclohexanone (2S,4R)-4-ethyl-2-[[(2S)-2-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)	2.72	9.13	-30.15	1	2	1	22	224.368	3	↓ MOL2 SDF SMILES Flexibase

53924578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-ethyl-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclohexanone (2S,4S)-4-ethyl-2-[[(2S)-2-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)	2.72	8.74	-34.77	1	2	1	22	224.368	3	↓ MOL2 SDF SMILES Flexibase

53924579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-ethyl-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclohexanone (2R,4R)-4-ethyl-2-[[(2S)-2-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)	2.72	8.45	-34.12	1	2	1	22	224.368	3	↓ MOL2 SDF SMILES Flexibase

53924580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-ethyl-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclohexanone (2R,4S)-4-ethyl-2-[[(2S)-2-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)	2.72	8.94	-34.33	1	2	1	22	224.368	3	↓ MOL2 SDF SMILES Flexibase

53924581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-4-propyl-cyclohexanone (2S,4R)-2-[[(2S)-2-methylpyrroli…

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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)	3.28	9.33	-35.56	1	2	1	22	238.395	4	↓ MOL2 SDF SMILES Flexibase

53924582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-4-propyl-cyclohexanone (2S,4S)-2-[[(2S)-2-methylpyrroli…

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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)	3.28	8.8	-34.21	1	2	1	22	238.395	4	↓ MOL2 SDF SMILES Flexibase

53924583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-4-propyl-cyclohexanone (2R,4R)-2-[[(2S)-2-methylpyrroli…

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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)	3.28	9.11	-34.43	1	2	1	22	238.395	4	↓ MOL2 SDF SMILES Flexibase

53924584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-4-propyl-cyclohexanone (2R,4S)-2-[[(2S)-2-methylpyrroli…

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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)	3.28	9.7	-34.57	1	2	1	22	238.395	4	↓ MOL2 SDF SMILES Flexibase

53924585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-tert-butyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[(2R)-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)	3.36	9.69	-35.12	1	2	1	22	252.422	3	↓ MOL2 SDF SMILES Flexibase

53924586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-tert-butyl-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[(2S)-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)	3.36	9.33	-36.1	1	2	1	22	252.422	3	↓ MOL2 SDF SMILES Flexibase

53924901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-methyl-2-(pyrrolidin-1-ylmethyl)cyclohexanone (2S,4R)-4-methyl-2-(pyrrolidin-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)	1.70	7.84	-30.52	1	2	1	22	196.314	2	↓ MOL2 SDF SMILES Flexibase

53924903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-methyl-2-(pyrrolidin-1-ylmethyl)cyclohexanone (2S,4S)-4-methyl-2-(pyrrolidin-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)	1.70	7.11	-35.56	1	2	1	22	196.314	2	↓ MOL2 SDF SMILES Flexibase

53924905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-methyl-2-(pyrrolidin-1-ylmethyl)cyclohexanone (2R,4R)-4-methyl-2-(pyrrolidin-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)	1.70	7.61	-29.83	1	2	1	22	196.314	2	↓ MOL2 SDF SMILES Flexibase

53924907

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-methyl-2-(pyrrolidin-1-ylmethyl)cyclohexanone (2R,4S)-4-methyl-2-(pyrrolidin-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)	1.70	7.66	-35.46	1	2	1	22	196.314	2	↓ MOL2 SDF SMILES Flexibase

53924910

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-ethyl-2-(pyrrolidin-1-ylmethyl)cyclohexanone (2S,4R)-4-ethyl-2-(pyrrolidin-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)	2.39	8.48	-30.79	1	2	1	22	210.341	3	↓ MOL2 SDF SMILES Flexibase

53924912

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-ethyl-2-(pyrrolidin-1-ylmethyl)cyclohexanone (2S,4S)-4-ethyl-2-(pyrrolidin-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)	2.39	8.09	-36.15	1	2	1	22	210.341	3	↓ MOL2 SDF SMILES Flexibase

53924913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-ethyl-2-(pyrrolidin-1-ylmethyl)cyclohexanone (2R,4R)-4-ethyl-2-(pyrrolidin-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)	2.39	7.81	-36	1	2	1	22	210.341	3	↓ MOL2 SDF SMILES Flexibase

53924916

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-ethyl-2-(pyrrolidin-1-ylmethyl)cyclohexanone (2R,4S)-4-ethyl-2-(pyrrolidin-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)	2.39	8.3	-35.91	1	2	1	22	210.341	3	↓ MOL2 SDF SMILES Flexibase

53924918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexanone (2S,4R)-4-propyl-2-(pyrrolidin-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)	2.95	9.24	-30.96	1	2	1	22	224.368	4	↓ MOL2 SDF SMILES Flexibase

53924920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexanone (2S,4S)-4-propyl-2-(pyrrolidin-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)	2.95	8.85	-36.51	1	2	1	22	224.368	4	↓ MOL2 SDF SMILES Flexibase

53924921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexanone (2R,4R)-4-propyl-2-(pyrrolidin-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)	2.95	8.57	-36.38	1	2	1	22	224.368	4	↓ MOL2 SDF SMILES Flexibase

53924923

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexanone (2R,4S)-4-propyl-2-(pyrrolidin-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)	2.95	9.05	-36.14	1	2	1	22	224.368	4	↓ MOL2 SDF SMILES Flexibase

53924925

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-tert-butyl-2-(pyrrolidin-1-ylmethyl)cyclohexanone (2S,4R)-4-tert-butyl-2-(pyrrolid…

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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)	3.03	9.03	-37.11	1	2	1	22	238.395	3	↓ MOL2 SDF SMILES Flexibase

53924927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-tert-butyl-2-(pyrrolidin-1-ylmethyl)cyclohexanone (2S,4S)-4-tert-butyl-2-(pyrrolid…

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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)	3.03	8.86	-36.81	1	2	1	22	238.395	3	↓ MOL2 SDF SMILES Flexibase

53924929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-tert-butyl-2-(pyrrolidin-1-ylmethyl)cyclohexanone (2R,4R)-4-tert-butyl-2-(pyrrolid…

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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)	3.03	8.58	-36.69	1	2	1	22	238.395	3	↓ MOL2 SDF SMILES Flexibase

53924931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-tert-butyl-2-(pyrrolidin-1-ylmethyl)cyclohexanone (2R,4S)-4-tert-butyl-2-(pyrrolid…

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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)	3.03	9.21	-31.08	1	2	1	22	238.395	3	↓ MOL2 SDF SMILES Flexibase

53928082

Analogs

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Popular Name: (2S,4R)-4-methyl-2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclohexanone (2S,4R)-4-methyl-2-[[(3S)-3-meth…

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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)	2.18	8.44	-31.05	1	2	1	22	210.341	2	↓ MOL2 SDF SMILES Flexibase

53928083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-methyl-2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclohexanone (2S,4S)-4-methyl-2-[[(3S)-3-meth…

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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)	2.18	7.77	-36.11	1	2	1	22	210.341	2	↓ MOL2 SDF SMILES Flexibase

53928085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-methyl-2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclohexanone (2R,4R)-4-methyl-2-[[(3S)-3-meth…

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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)	2.18	8.24	-30.53	1	2	1	22	210.341	2	↓ MOL2 SDF SMILES Flexibase

53928087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-methyl-2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclohexanone (2R,4S)-4-methyl-2-[[(3S)-3-meth…

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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)	2.18	8.45	-30.88	1	2	1	22	210.341	2	↓ MOL2 SDF SMILES Flexibase

53928089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-ethyl-2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclohexanone (2S,4R)-4-ethyl-2-[[(3S)-3-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)	2.87	8.91	-36.26	1	2	1	22	224.368	3	↓ MOL2 SDF SMILES Flexibase

53928091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-ethyl-2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclohexanone (2S,4S)-4-ethyl-2-[[(3S)-3-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)	2.87	8.41	-36.39	1	2	1	22	224.368	3	↓ MOL2 SDF SMILES Flexibase

53928094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-ethyl-2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclohexanone (2R,4R)-4-ethyl-2-[[(3S)-3-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)	2.87	8.42	-36.32	1	2	1	22	224.368	3	↓ MOL2 SDF SMILES Flexibase

53928096

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-ethyl-2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclohexanone (2R,4S)-4-ethyl-2-[[(3S)-3-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)	2.87	9.09	-31.15	1	2	1	22	224.368	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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