ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

35892309

Analogs

35892311
35892343
35892345
35892453
35892455

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]-phenyl-methanone [4-[[(1R)-1-methylpropyl]BLAHyl]…

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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)	5.15	14.07	-10.06	0	5	0	49	448.636	4	↓ MOL2 SDF SMILES Flexibase

35892311

Analogs

35892343
35892345
35892453
35892455
35892309

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]-phenyl-methanone [4-[[(1S)-1-methylpropyl]BLAHyl]…

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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)	5.15	14.07	-10.15	0	5	0	49	448.636	4	↓ MOL2 SDF SMILES Flexibase

35892313

Analogs

35892315
35892487
35892151

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (4-fluorophenyl)-[4-[[(1R)-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.31	14.14	-9.55	0	5	0	49	466.626	4	↓ MOL2 SDF SMILES Flexibase

35892315

Analogs

35892487
35892151
35892313

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (4-fluorophenyl)-[4-[[(1S)-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.31	14.14	-9.57	0	5	0	49	466.626	4	↓ MOL2 SDF SMILES Flexibase

35892317

Analogs

35892319
35892153
35552681

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methoxyphenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (4-methoxyphenyl)-[4-[[(1R)-1-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.20	13.37	-10.44	0	6	0	59	478.662	5	↓ MOL2 SDF SMILES Flexibase

35892319

Analogs

35892153
35892317
35552681

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methoxyphenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (4-methoxyphenyl)-[4-[[(1S)-1-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.20	13.37	-10.5	0	6	0	59	478.662	5	↓ MOL2 SDF SMILES Flexibase

35892321

Analogs

35892323
35892157

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-dichlorophenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (2,4-dichlorophenyl)-[4-[[(1R)-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)	6.43	15.07	-9.85	0	5	0	49	517.526	4	↓ MOL2 SDF SMILES Flexibase

35892323

Analogs

35892157
35892321

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-dichlorophenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (2,4-dichlorophenyl)-[4-[[(1S)-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)	6.43	15.07	-9.86	0	5	0	49	517.526	4	↓ MOL2 SDF SMILES Flexibase

35892329

Analogs

35892330
35892160
35552684

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (4-chlorophenyl)-[4-[[(1R)-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.82	14.59	-9.21	0	5	0	49	483.081	4	↓ MOL2 SDF SMILES Flexibase

35892330

Analogs

35892160
35892329
35552684

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (4-chlorophenyl)-[4-[[(1S)-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.82	14.59	-9.24	0	5	0	49	483.081	4	↓ MOL2 SDF SMILES Flexibase

35892336

Analogs

35892338
35892164
35552687

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]-(4-nitrophenyl)methanone [4-[[(1R)-1-methylpropyl]BLAHyl]…

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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)	5.10	14.79	-11.9	0	8	0	95	493.633	5	↓ MOL2 SDF SMILES Flexibase

35892338

Analogs

35892164
35892336
35552687

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]-(4-nitrophenyl)methanone [4-[[(1S)-1-methylpropyl]BLAHyl]…

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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)	5.10	14.78	-11.96	0	8	0	95	493.633	5	↓ MOL2 SDF SMILES Flexibase

35892339

Analogs

35892341
35892165
35552690

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]-(3-nitrophenyl)methanone [4-[[(1R)-1-methylpropyl]BLAHyl]…

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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)	5.08	14.78	-15.35	0	8	0	95	493.633	5	↓ MOL2 SDF SMILES Flexibase

35892341

Analogs

35892165
35892339
35552690

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]-(3-nitrophenyl)methanone [4-[[(1S)-1-methylpropyl]BLAHyl]…

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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)	5.08	14.78	-15.35	0	8	0	95	493.633	5	↓ MOL2 SDF SMILES Flexibase

35892343

Analogs

35892345
35892453
35892455
35892213
35892217

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]-(p-tolyl)methanone [4-[[(1R)-1-methylpropyl]BLAHyl]…

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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)	5.59	14.75	-9.94	0	5	0	49	462.663	4	↓ MOL2 SDF SMILES Flexibase

35892345

Analogs

35892453
35892455
35892309
35892311
35892343

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]-(p-tolyl)methanone [4-[[(1S)-1-methylpropyl]BLAHyl]…

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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)	5.59	14.75	-9.93	0	5	0	49	462.663	4	↓ MOL2 SDF SMILES Flexibase

35892359

Analogs

35892361
35892497
35552608

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]-(o-tolyl)methanone [4-[[(1R)-1-methylpropyl]BLAHyl]…

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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)	5.55	14.68	-9.98	0	5	0	49	462.663	4	↓ MOL2 SDF SMILES Flexibase

35892361

Analogs

35892497
35892359
35552608

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]-(o-tolyl)methanone [4-[[(1S)-1-methylpropyl]BLAHyl]…

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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)	5.55	14.68	-9.97	0	5	0	49	462.663	4	↓ MOL2 SDF SMILES Flexibase

35892366

Analogs

35892367
35892540
35892178

Draw Identity 99% 90% 80% 70%

Popular Name: (2-chloro-4-nitro-phenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (2-chloro-4-nitro-phenyl)-[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)	5.71	15.28	-11.91	0	8	0	95	528.078	5	↓ MOL2 SDF SMILES Flexibase

35892367

Analogs

35892540
35892178
35892366

Draw Identity 99% 90% 80% 70%

Popular Name: (2-chloro-4-nitro-phenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (2-chloro-4-nitro-phenyl)-[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)	5.71	15.28	-11.91	0	8	0	95	528.078	5	↓ MOL2 SDF SMILES Flexibase

35892396

Analogs

35892398
35552619

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dichlorophenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (3,4-dichlorophenyl)-[4-[[(1R)-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)	6.43	15.04	-9.85	0	5	0	49	517.526	4	↓ MOL2 SDF SMILES Flexibase

35892398

Analogs

35892396
35552619

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dichlorophenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (3,4-dichlorophenyl)-[4-[[(1S)-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)	6.43	15.04	-9.89	0	5	0	49	517.526	4	↓ MOL2 SDF SMILES Flexibase

35892400

Analogs

35892401
35892191
35552707

Draw Identity 99% 90% 80% 70%

Popular Name: (2-fluorophenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (2-fluorophenyl)-[4-[[(1R)-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.26	14.15	-13.08	0	5	0	49	466.626	4	↓ MOL2 SDF SMILES Flexibase

35892401

Analogs

35892191
35892400
35552707

Draw Identity 99% 90% 80% 70%

Popular Name: (2-fluorophenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (2-fluorophenyl)-[4-[[(1S)-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.26	14.15	-13.11	0	5	0	49	466.626	4	↓ MOL2 SDF SMILES Flexibase

35892403

Analogs

35892405
35892194

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone [4-[[(1R)-1-methylpropyl]BLAHyl]…

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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)	6.02	15.08	-11.47	0	5	0	49	516.633	5	↓ MOL2 SDF SMILES Flexibase

35892405

Analogs

35892194
35892403

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone [4-[[(1S)-1-methylpropyl]BLAHyl]…

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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)	6.02	15.07	-11.51	0	5	0	49	516.633	5	↓ MOL2 SDF SMILES Flexibase

35892410

Analogs

35892412
35892561
35892197

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-3-nitro-phenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (4-chloro-3-nitro-phenyl)-[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)	5.71	15.16	-14.51	0	8	0	95	528.078	5	↓ MOL2 SDF SMILES Flexibase

35892412

Analogs

35892561
35892197
35892410

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-3-nitro-phenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (4-chloro-3-nitro-phenyl)-[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)	5.71	15.16	-14.56	0	8	0	95	528.078	5	↓ MOL2 SDF SMILES Flexibase

35892414

Analogs

35892416
35552625

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromophenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (4-bromophenyl)-[4-[[(1R)-1-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)	5.95	14.7	-9.02	0	5	0	49	527.532	4	↓ MOL2 SDF SMILES Flexibase

35892416

Analogs

35892414
35552625

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromophenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (4-bromophenyl)-[4-[[(1S)-1-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)	5.95	14.7	-9.1	0	5	0	49	527.532	4	↓ MOL2 SDF SMILES Flexibase

35892418

Analogs

35892420
35892199
35892274

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methyl-3-nitro-phenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (4-methyl-3-nitro-phenyl)-[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)	5.48	15.39	-15.04	0	8	0	95	507.66	5	↓ MOL2 SDF SMILES Flexibase

35892420

Analogs

35892199
35892274
35892418

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methyl-3-nitro-phenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (4-methyl-3-nitro-phenyl)-[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)	5.48	15.39	-15.1	0	8	0	95	507.66	5	↓ MOL2 SDF SMILES Flexibase

35892434

Analogs

35892436
35892206

Draw Identity 99% 90% 80% 70%

Popular Name: (4-butoxyphenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (4-butoxyphenyl)-[4-[[(1S)-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.64	15.85	-10.02	0	6	0	59	520.743	8	↓ MOL2 SDF SMILES Flexibase

35892436

Analogs

35892206
35892434

Draw Identity 99% 90% 80% 70%

Popular Name: (4-butoxyphenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (4-butoxyphenyl)-[4-[[(1R)-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.64	15.85	-9.96	0	6	0	59	520.743	8	↓ MOL2 SDF SMILES Flexibase

35892438

Analogs

35892440
35892208
35892282
35552662
35552666

Draw Identity 99% 90% 80% 70%

Popular Name: (2,6-dimethoxyphenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (2,6-dimethoxyphenyl)-[4-[[(1R)-…

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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)	5.16	12.93	-15.34	0	7	0	68	508.688	6	↓ MOL2 SDF SMILES Flexibase

35892440

Analogs

35892208
35892282
35892438
35552662

Draw Identity 99% 90% 80% 70%

Popular Name: (2,6-dimethoxyphenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (2,6-dimethoxyphenyl)-[4-[[(1S)-…

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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)	5.16	12.93	-15.33	0	7	0	68	508.688	6	↓ MOL2 SDF SMILES Flexibase

35892449

Analogs

35892451
35892215

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methoxyphenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (3-methoxyphenyl)-[4-[[(1R)-1-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.18	13.37	-12	0	6	0	59	478.662	5	↓ MOL2 SDF SMILES Flexibase

35892451

Analogs

35892215
35892449

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methoxyphenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (3-methoxyphenyl)-[4-[[(1S)-1-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.18	13.37	-12.02	0	6	0	59	478.662	5	↓ MOL2 SDF SMILES Flexibase

35892453

Analogs

35892455
35892309
35892311
35892343
35892345

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (4-ethylphenyl)-[4-[[(1S)-1-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)	6.06	15.46	-9.86	0	5	0	49	476.69	5	↓ MOL2 SDF SMILES Flexibase

35892455

Analogs

35892309
35892311
35892343
35892345
35892453

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (4-ethylphenyl)-[4-[[(1R)-1-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)	6.06	15.46	-9.81	0	5	0	49	476.69	5	↓ MOL2 SDF SMILES Flexibase

35892469

Analogs

35892470
35892230

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone [4-[[(1R)-1-methylpropyl]BLAHyl]…

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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)	6.04	15.08	-9.69	0	5	0	49	516.633	5	↓ MOL2 SDF SMILES Flexibase

35892470

Analogs

35892230
35892469

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone [4-[[(1S)-1-methylpropyl]BLAHyl]…

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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)	6.04	15.08	-9.72	0	5	0	49	516.633	5	↓ MOL2 SDF SMILES Flexibase

35892472

Analogs

35892474
35892232

Draw Identity 99% 90% 80% 70%

Popular Name: (2-bromophenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (2-bromophenyl)-[4-[[(1R)-1-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)	5.91	14.67	-10.94	0	5	0	49	527.532	4	↓ MOL2 SDF SMILES Flexibase

35892474

Analogs

35892232
35892472

Draw Identity 99% 90% 80% 70%

Popular Name: (2-bromophenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (2-bromophenyl)-[4-[[(1S)-1-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)	5.91	14.67	-10.92	0	5	0	49	527.532	4	↓ MOL2 SDF SMILES Flexibase

35892476

Analogs

35892477
35892234
35892295

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methoxyphenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (2-methoxyphenyl)-[4-[[(1R)-1-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.70	13.59	-13.05	0	6	0	59	478.662	5	↓ MOL2 SDF SMILES Flexibase

35892477

Analogs

35892234
35892295
35892476

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methoxyphenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (2-methoxyphenyl)-[4-[[(1S)-1-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.70	13.59	-13.01	0	6	0	59	478.662	5	↓ MOL2 SDF SMILES Flexibase

35892479

Analogs

35892480
35892236

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chlorophenyl)-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (3-chlorophenyl)-[4-[[(1R)-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.80	14.58	-10.49	0	5	0	49	483.081	4	↓ MOL2 SDF SMILES Flexibase

35892480

Analogs

35892236
35892479

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chlorophenyl)-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone (3-chlorophenyl)-[4-[[(1S)-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.80	14.58	-10.53	0	5	0	49	483.081	4	↓ MOL2 SDF SMILES Flexibase

35892487

Analogs

35892313
35892315

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-[4-(isopropylBLAHyl)piperazin-1-yl]methanone (4-fluorophenyl)-[4-(isopropylBL…

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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)	4.97	13.5	-9.7	0	5	0	49	452.599	3	↓ MOL2 SDF SMILES Flexibase

35892497

Analogs

35892359
35892361

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(isopropylBLAHyl)piperazin-1-yl]-(o-tolyl)methanone [4-(isopropylBLAHyl)piperazin-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.20	14.13	-9.72	0	5	0	49	448.636	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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