ZINC 12

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

62955134

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(4-ethyl-4-methyl-1-piperidyl)phenyl]methyl]cyclopropanamine N-[[2-(4-ethyl-4-methyl-1-piperi…

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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)	3.81	10.42	-34.41	2	2	1	20	273.444	5	↓ MOL2 SDF SMILES Flexibase

62955148

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(4-ethyl-4-methyl-1-piperidyl)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(4-ethyl-4-methyl-1-piperi…

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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)	3.95	10.48	-37.48	2	2	1	20	291.434	5	↓ MOL2 SDF SMILES Flexibase

48965562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol (3S)-1-[3-chloro-2-[(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)	2.30	6.17	-29.79	3	3	1	40	281.807	4	↓ MOL2 SDF SMILES Flexibase

48965565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol (3R)-1-[3-chloro-2-[(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)	2.30	6.06	-29.98	3	3	1	40	281.807	4	↓ MOL2 SDF SMILES Flexibase

48965597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol (3S)-1-[5-bromo-2-[(cyclopropyla…

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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)	2.46	6.36	-37.38	3	3	1	40	326.258	4	↓ MOL2 SDF SMILES Flexibase

48965600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol (3R)-1-[5-bromo-2-[(cyclopropyla…

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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)	2.46	6.32	-38.7	3	3	1	40	326.258	4	↓ MOL2 SDF SMILES Flexibase

48965632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[(cyclopropylamino)methyl]-4-fluoro-phenyl]piperidin-3-ol (3S)-1-[2-[(cyclopropylamino)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)	1.81	5.81	-35.73	3	3	1	40	265.352	4	↓ MOL2 SDF SMILES Flexibase

48965635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(cyclopropylamino)methyl]-4-fluoro-phenyl]piperidin-3-ol (3R)-1-[2-[(cyclopropylamino)met…

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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)	1.81	5.75	-37.21	3	3	1	40	265.352	4	↓ MOL2 SDF SMILES Flexibase

48986042

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(cyclopropylamino)methyl]phenyl]-N-methyl-piperidine-4-carboxamide 1-[2-[(cyclopropylamino)methyl]p…

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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)	1.80	7.23	-45.04	3	4	1	49	288.415	5	↓ MOL2 SDF SMILES Flexibase

37235891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[(cyclopropylamino)methyl]-4-fluoro-phenyl]piperidine-3-carboxamide (3S)-1-[2-[(cyclopropylamino)met…

Find On: PubMed — Wikipedia — Google

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)	1.56	5.76	-35.75	4	4	1	63	292.378	5	↓ MOL2 SDF SMILES Flexibase

37235893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(cyclopropylamino)methyl]-4-fluoro-phenyl]piperidine-3-carboxamide (3R)-1-[2-[(cyclopropylamino)met…

Find On: PubMed — Wikipedia — Google

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)	1.56	5.74	-38.94	4	4	1	63	292.378	5	↓ MOL2 SDF SMILES Flexibase

37235915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-fluoro-2-(4-methyl-1-piperidyl)phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-(4-methyl-1-piper…

Find On: PubMed — Wikipedia — Google

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)	3.21	9.71	-36.81	2	2	1	20	263.38	4	↓ MOL2 SDF SMILES Flexibase

37235964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-fluoro-2-[(2R)-2-methyl-1-piperidyl]phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-[(2R)-2-methyl-1-…

Find On: PubMed — Wikipedia — Google

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)	3.29	9.7	-35.04	2	2	1	20	263.38	4	↓ MOL2 SDF SMILES Flexibase

37235966

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-fluoro-2-[(2S)-2-methyl-1-piperidyl]phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-[(2S)-2-methyl-1-…

Find On: PubMed — Wikipedia — Google

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)	3.29	9.36	-36.47	2	2	1	20	263.38	4	↓ MOL2 SDF SMILES Flexibase

37236051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-fluoro-2-[(3R)-3-methyl-1-piperidyl]phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-[(3R)-3-methyl-1-…

Find On: PubMed — Wikipedia — Google

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)	3.21	9.76	-36.34	2	2	1	20	263.38	4	↓ MOL2 SDF SMILES Flexibase

37236053

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-fluoro-2-[(3S)-3-methyl-1-piperidyl]phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-[(3S)-3-methyl-1-…

Find On: PubMed — Wikipedia — Google

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)	3.21	9.71	-36.55	2	2	1	20	263.38	4	↓ MOL2 SDF SMILES Flexibase

37236211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(cyclopropylamino)methyl]-4-fluoro-phenyl]piperidine-4-carboxamide 1-[2-[(cyclopropylamino)methyl]-…

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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)	1.56	5.77	-47.96	4	4	1	63	292.378	5	↓ MOL2 SDF SMILES Flexibase

37236299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-[(3S,5R)-3,5-dimethyl-1-pi…

Find On: PubMed — Wikipedia — Google

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)	3.68	10.31	-36.67	2	2	1	20	277.407	4	↓ MOL2 SDF SMILES Flexibase

37236301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-[(3S,5S)-3,5-dimethyl-1-pi…

Find On: PubMed — Wikipedia — Google

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)	3.68	10.4	-36.69	2	2	1	20	277.407	4	↓ MOL2 SDF SMILES Flexibase

37236303

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-[(3R,5R)-3,5-dimethyl-1-pi…

Find On: PubMed — Wikipedia — Google

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)	3.68	10.36	-36.94	2	2	1	20	277.407	4	↓ MOL2 SDF SMILES Flexibase

37236353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(cyclopropylamino)methyl]-4-fluoro-phenyl]piperidin-4-ol 1-[2-[(cyclopropylamino)methyl]-…

Find On: PubMed — Wikipedia — Google

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)	1.08	5.77	-40.72	3	3	1	40	265.352	4	↓ MOL2 SDF SMILES Flexibase

37236365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-fluoro-2-(1-piperidyl)phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-(1-piperidyl)phen…

Find On: PubMed — Wikipedia — Google

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)	2.96	9.18	-36.21	2	2	1	20	249.353	4	↓ MOL2 SDF SMILES Flexibase

37236535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[2-[(cyclopropylamino)methyl]-4-fluoro-phenyl]-4-piperidyl]methanol [1-[2-[(cyclopropylamino)methyl]…

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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)	2.20	6.41	-38.18	3	3	1	40	279.379	5	↓ MOL2 SDF SMILES Flexibase

37236595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(2R)-2-ethyl-1-piperidyl]-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-[(2R)-2-ethyl-1-piperidyl]…

Find On: PubMed — Wikipedia — Google

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)	3.83	10.04	-35.7	2	2	1	20	277.407	5	↓ MOL2 SDF SMILES Flexibase

37236596

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(2S)-2-ethyl-1-piperidyl]-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-[(2S)-2-ethyl-1-piperidyl]…

Find On: PubMed — Wikipedia — Google

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)	3.83	10.01	-36.71	2	2	1	20	277.407	5	↓ MOL2 SDF SMILES Flexibase

42438245

Analogs

42438246
42438247
42438248

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-1-[2-[(cyclopropylamino)methyl]phenyl]-6-methyl-piperidine-3-carboxamide (3S,6R)-1-[2-[(cyclopropylamino)…

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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)	1.75	6.19	-31.67	4	4	1	63	288.415	5	↓ MOL2 SDF SMILES Flexibase

42438246

Analogs

42438247
42438248
42438245

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-1-[2-[(cyclopropylamino)methyl]phenyl]-6-methyl-piperidine-3-carboxamide (3S,6S)-1-[2-[(cyclopropylamino)…

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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)	1.75	5.92	-33.3	4	4	1	63	288.415	5	↓ MOL2 SDF SMILES Flexibase

42438247

Analogs

42438248
42438245
42438246

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-1-[2-[(cyclopropylamino)methyl]phenyl]-6-methyl-piperidine-3-carboxamide (3R,6R)-1-[2-[(cyclopropylamino)…

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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)	1.75	6.26	-35.18	4	4	1	63	288.415	5	↓ MOL2 SDF SMILES Flexibase

42438248

Analogs

42438245
42438246
42438247

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-1-[2-[(cyclopropylamino)methyl]phenyl]-6-methyl-piperidine-3-carboxamide (3R,6S)-1-[2-[(cyclopropylamino)…

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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)	1.75	6.15	-39.89	4	4	1	63	288.415	5	↓ MOL2 SDF SMILES Flexibase

42438301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[2-[(cyclopropylamino)methyl]phenyl]-4-piperidyl]acetamide 2-[1-[2-[(cyclopropylamino)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)	1.87	6.46	-34.83	4	4	1	63	288.415	6	↓ MOL2 SDF SMILES Flexibase

42469619

Analogs

34824566
36795667
36795669

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol (3S)-1-[2-[(cyclopropylamino)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)	1.67	5.74	-32.84	3	3	1	40	247.362	4	↓ MOL2 SDF SMILES Flexibase

42469622

Analogs

34824566
36795667
36795669

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol (3R)-1-[2-[(cyclopropylamino)met…

Find On: PubMed — Wikipedia — Google

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)	1.67	5.69	-34.43	3	3	1	40	247.362	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 318610
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 318610 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=318610&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "318610"        

    });
</script>

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Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations