ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

37079300

Analogs

22212782
36566942
27882570

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-2-methyl-phenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(3-amino-2-methyl-phenyl)-4-[c…

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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)	2.26	7.15	-38.45	4	4	1	60	276.404	7	↓ MOL2 SDF SMILES Flexibase

37079303

Analogs

21813177

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-chloro-phenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(4-amino-2-chloro-phenyl)-4-[c…

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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)	2.11	6.85	-35.93	4	4	1	60	296.822	7	↓ MOL2 SDF SMILES Flexibase

37079308

Analogs

467288

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-chloro-phenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(3-amino-4-chloro-phenyl)-4-[c…

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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)	2.52	6.79	-38.58	4	4	1	60	296.822	7	↓ MOL2 SDF SMILES Flexibase

37079313

Analogs

22165384

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-methoxy-phenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(4-amino-2-methoxy-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)	1.49	5.6	-36.84	4	5	1	69	292.403	8	↓ MOL2 SDF SMILES Flexibase

37079317

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-5-chloro-phenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(2-amino-5-chloro-phenyl)-4-[c…

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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)	2.52	7	-39.59	4	4	1	60	296.822	7	↓ MOL2 SDF SMILES Flexibase

37079319

Analogs

42478279
19272560
22167876

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-fluoro-phenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(3-amino-4-fluoro-phenyl)-4-[c…

Find On: PubMed — Wikipedia — Google

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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)	2.00	6.29	-39.58	4	4	1	60	280.367	7	↓ MOL2 SDF SMILES Flexibase

37079323

Analogs

42478269
22213272
31971452

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-fluoro-phenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(2-amino-4-fluoro-phenyl)-4-[c…

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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)	2.00	6.56	-40.07	4	4	1	60	280.367	7	↓ MOL2 SDF SMILES Flexibase

37079327

Analogs

42478262
19272560

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-fluoro-phenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(5-amino-2-fluoro-phenyl)-4-[c…

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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)	1.60	6.33	-37	4	4	1	60	280.367	7	↓ MOL2 SDF SMILES Flexibase

37079332

Analogs

21813177
21040825

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4,6-dichloro-phenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(2-amino-4,6-dichloro-phenyl)-…

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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)	3.12	7.72	-38.95	4	4	1	60	331.267	7	↓ MOL2 SDF SMILES Flexibase

37079337

Analogs

21813177

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2,6-dichloro-phenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(4-amino-2,6-dichloro-phenyl)-…

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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	7.31	-35.67	4	4	1	60	331.267	7	↓ MOL2 SDF SMILES Flexibase

37079341

Analogs

44545351
27882570
569984

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-methyl-phenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(4-amino-2-methyl-phenyl)-4-[c…

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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)	1.88	7.06	-37.96	4	4	1	60	276.404	7	↓ MOL2 SDF SMILES Flexibase

37079343

Analogs

19282633
22155508

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(4-aminophenyl)-4-[cyclopropyl…

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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)	1.51	6.23	-37.65	4	4	1	60	262.377	7	↓ MOL2 SDF SMILES Flexibase

37079348

Analogs

36568554
30834755
2636498

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-methyl-phenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(5-amino-2-methyl-phenyl)-4-[c…

Find On: PubMed — Wikipedia — Google

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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)	1.88	7.06	-38.19	4	4	1	60	276.404	7	↓ MOL2 SDF SMILES Flexibase

37079354

Analogs

31972157
408303

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-chloro-phenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(2-amino-4-chloro-phenyl)-4-[c…

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Activity (Go SEA)

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)	2.52	7.01	-39.32	4	4	1	60	296.822	7	↓ MOL2 SDF SMILES Flexibase

37079356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminophenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(2-aminophenyl)-4-[cyclopropyl…

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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)	1.86	6.51	-38.38	4	4	1	60	262.377	7	↓ MOL2 SDF SMILES Flexibase

37079358

Analogs

47220470
22217672
22155508

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-aminophenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(3-aminophenyl)-4-[cyclopropyl…

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Activity (Go SEA)

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)	1.48	6.23	-37.97	4	4	1	60	262.377	7	↓ MOL2 SDF SMILES Flexibase

37079360

Analogs

8703564
20157223

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-methoxy-phenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(2-amino-4-methoxy-phenyl)-4-[…

Find On: PubMed — Wikipedia — Google

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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)	1.90	5.77	-39.99	4	5	1	69	292.403	8	↓ MOL2 SDF SMILES Flexibase

37079363

Analogs

8703546
29471434

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-methoxy-phenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(5-amino-2-methoxy-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)	1.49	5.62	-37.16	4	5	1	69	292.403	8	↓ MOL2 SDF SMILES Flexibase

37079479

Analogs

22174609

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(aminomethyl)phenyl]-4-[cyclopropyl(ethyl)amino]butanamide N-[3-(aminomethyl)phenyl]-4-[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)	1.59	6.36	-91.98	5	4	2	61	277.412	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.59	5.96	-38.15	4	4	1	60	276.404	8	↓ MOL2 SDF SMILES Flexibase

37079480

Analogs

22152639
22155742

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(aminomethyl)phenyl]-4-[cyclopropyl(ethyl)amino]butanamide N-[2-(aminomethyl)phenyl]-4-[cyc…

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Activity (Go SEA)

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)	1.57	6.58	-100.41	5	4	2	61	277.412	8	↓ MOL2 SDF SMILES Flexibase

37079482

Analogs

43448133

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(aminomethyl)phenyl]-4-[cyclopropyl(ethyl)amino]butanamide N-[4-(aminomethyl)phenyl]-4-[cyc…

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Activity (Go SEA)

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	6.36	-86.88	5	4	2	61	277.412	8	↓ MOL2 SDF SMILES Flexibase

37079984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(4-cyanophenyl)-4-[cyclopropyl…

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Activity (Go SEA)

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	8.73	-42.36	2	4	1	57	272.372	7	↓ MOL2 SDF SMILES Flexibase

37079986

Analogs

49121409
358388
32658968

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(3-cyanophenyl)-4-[cyclopropyl…

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Activity (Go SEA)

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)	2.16	8.74	-42.5	2	4	1	57	272.372	7	↓ MOL2 SDF SMILES Flexibase

37079995

Analogs

19846956

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(2-cyanophenyl)-4-[cyclopropyl…

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Activity (Go SEA)

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)	2.14	8.77	-37.36	2	4	1	57	272.372	7	↓ MOL2 SDF SMILES Flexibase

37080004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-carbamothioylphenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(3-carbamothioylphenyl)-4-[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	7.58	-48.06	4	4	1	60	306.455	8	↓ MOL2 SDF SMILES Flexibase

37080005

Analogs

22152639

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-carbamothioylphenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(2-carbamothioylphenyl)-4-[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)	2.18	8.13	-36.68	4	4	1	60	306.455	8	↓ MOL2 SDF SMILES Flexibase

37080007

Analogs

9664691
22156267

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-carbamothioylphenyl)-4-[cyclopropyl(ethyl)amino]butanamide N-(4-carbamothioylphenyl)-4-[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)	2.23	7.59	-50.12	4	4	1	60	306.455	8	↓ MOL2 SDF SMILES Flexibase

37080394

Analogs

22212782
36566942
27882570

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-2-methyl-phenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(3-amino-2-methyl-phenyl)-4-[c…

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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)	1.89	6.55	-39.11	4	4	1	60	262.377	6	↓ MOL2 SDF SMILES Flexibase

37080396

Analogs

21813177

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-chloro-phenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(4-amino-2-chloro-phenyl)-4-[c…

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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	6.19	-36.65	4	4	1	60	282.795	6	↓ MOL2 SDF SMILES Flexibase

37080403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-chloro-phenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(3-amino-4-chloro-phenyl)-4-[c…

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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)	2.14	6.14	-39.24	4	4	1	60	282.795	6	↓ MOL2 SDF SMILES Flexibase

37080409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-methoxy-phenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(4-amino-2-methoxy-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)	1.11	4.97	-37.55	4	5	1	69	278.376	7	↓ MOL2 SDF SMILES Flexibase

37080416

Analogs

48441464
31972157
31972161
31972162

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-5-chloro-phenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(2-amino-5-chloro-phenyl)-4-[c…

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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)	2.14	6.36	-40.16	4	4	1	60	282.795	6	↓ MOL2 SDF SMILES Flexibase

37080418

Analogs

42478279

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-fluoro-phenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(3-amino-4-fluoro-phenyl)-4-[c…

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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)	1.63	5.65	-40.15	4	4	1	60	266.34	6	↓ MOL2 SDF SMILES Flexibase

37080422

Analogs

42478269
22213272
31971452

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-fluoro-phenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(2-amino-4-fluoro-phenyl)-4-[c…

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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)	1.63	5.9	-40.56	4	4	1	60	266.34	6	↓ MOL2 SDF SMILES Flexibase

37080426

Analogs

42478262

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-fluoro-phenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(5-amino-2-fluoro-phenyl)-4-[c…

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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)	1.22	5.67	-37.68	4	4	1	60	266.34	6	↓ MOL2 SDF SMILES Flexibase

37080431

Analogs

21813177
21040825

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Popular Name: N-(2-amino-4,6-dichloro-phenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(2-amino-4,6-dichloro-phenyl)-…

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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)	2.75	7.08	-39.49	4	4	1	60	317.24	6	↓ MOL2 SDF SMILES Flexibase

37080436

Analogs

21813177

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2,6-dichloro-phenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(4-amino-2,6-dichloro-phenyl)-…

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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	6.96	-36.89	4	4	1	60	317.24	6	↓ MOL2 SDF SMILES Flexibase

37080440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-methyl-phenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(4-amino-2-methyl-phenyl)-4-[c…

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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)	1.51	6.44	-38.63	4	4	1	60	262.377	6	↓ MOL2 SDF SMILES Flexibase

37080442

Analogs

19282633
22155508

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(4-aminophenyl)-4-[cyclopropyl…

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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)	1.13	5.57	-38.31	4	4	1	60	248.35	6	↓ MOL2 SDF SMILES Flexibase

37080446

Analogs

36568554
30834755
2636498

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-methyl-phenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(5-amino-2-methyl-phenyl)-4-[c…

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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)	1.51	6.46	-38.77	4	4	1	60	262.377	6	↓ MOL2 SDF SMILES Flexibase

37080450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-chloro-phenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(2-amino-4-chloro-phenyl)-4-[c…

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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)	2.14	6.36	-39.92	4	4	1	60	282.795	6	↓ MOL2 SDF SMILES Flexibase

37080452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminophenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(2-aminophenyl)-4-[cyclopropyl…

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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)	1.49	5.86	-38.91	4	4	1	60	248.35	6	↓ MOL2 SDF SMILES Flexibase

37080454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-aminophenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(3-aminophenyl)-4-[cyclopropyl…

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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)	1.11	5.57	-38.55	4	4	1	60	248.35	6	↓ MOL2 SDF SMILES Flexibase

37080456

Analogs

8703564
20157223

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Popular Name: N-(2-amino-4-methoxy-phenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(2-amino-4-methoxy-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)	1.52	5.13	-40.61	4	5	1	69	278.376	7	↓ MOL2 SDF SMILES Flexibase

37080458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-methoxy-phenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(5-amino-2-methoxy-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)	1.11	4.97	-37.83	4	5	1	69	278.376	7	↓ MOL2 SDF SMILES Flexibase

37080561

Analogs

22174609

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(aminomethyl)phenyl]-4-[cyclopropyl(methyl)amino]butanamide N-[3-(aminomethyl)phenyl]-4-[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)	1.21	5.72	-92.43	5	4	2	61	263.385	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.21	5.32	-38.79	4	4	1	60	262.377	7	↓ MOL2 SDF SMILES Flexibase

37080562

Analogs

22152639
22155742

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(aminomethyl)phenyl]-4-[cyclopropyl(methyl)amino]butanamide N-[2-(aminomethyl)phenyl]-4-[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)	1.19	5.95	-100.51	5	4	2	61	263.385	7	↓ MOL2 SDF SMILES Flexibase

37080564

Analogs

43448133
22156267
22156271

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(aminomethyl)phenyl]-4-[cyclopropyl(methyl)amino]butanamide N-[4-(aminomethyl)phenyl]-4-[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)	1.24	5.72	-87.54	5	4	2	61	263.385	7	↓ MOL2 SDF SMILES Flexibase

37081101

Analogs

40456065
142605
25454526
4590189

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(4-cyanophenyl)-4-[cyclopropyl…

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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	8.08	-42.93	2	4	1	57	258.345	6	↓ MOL2 SDF SMILES Flexibase

37081103

Analogs

49121409
358388
32658968

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide N-(3-cyanophenyl)-4-[cyclopropyl…

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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)	1.78	8.07	-42.98	2	4	1	57	258.345	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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