ZINC 12

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ZINC Item

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35017593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylmethoxy)-N-[(3,5-dibromo-2-methoxy-phenyl)methyl]propan-1-amine 3-(cyclopropylmethoxy)-N-[(3,5-d…

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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)	4.15	8.32	-43.88	2	3	1	35	408.154	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.15	6.96	-3.84	1	3	0	30	407.146	9	↓ MOL2 SDF SMILES Flexibase

35017595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylmethoxy)-N-[(3,5-dibromo-2-ethoxy-phenyl)methyl]propan-1-amine 3-(cyclopropylmethoxy)-N-[(3,5-d…

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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)	4.53	9.27	-43.84	2	3	1	35	422.181	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.53	7.91	-3.68	1	3	0	30	421.173	10	↓ MOL2 SDF SMILES Flexibase

35017597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-propoxy-phenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine N-[(5-bromo-2-propoxy-phenyl)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)	4.29	9.35	-39.35	2	3	1	35	357.312	11	↓ MOL2 SDF SMILES Flexibase

35017601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromo-3-nitro-phenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine N-[(4-bromo-3-nitro-phenyl)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)	3.32	8.81	-59.71	2	5	1	72	344.229	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.32	7.45	-9.44	1	5	0	67	343.221	9	↓ MOL2 SDF SMILES Flexibase

35017603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylmethoxy)-N-[(3,4-dimethylphenyl)methyl]propan-1-amine 3-(cyclopropylmethoxy)-N-[(3,4-d…

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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)	3.45	8.85	-41.14	2	2	1	26	248.39	8	↓ MOL2 SDF SMILES Flexibase

35017605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-bromo-4-methoxy-phenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine N-[(3-bromo-4-methoxy-phenyl)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)	3.42	7.59	-47.49	2	3	1	35	329.258	9	↓ MOL2 SDF SMILES Flexibase

35017607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylmethoxy)-N-[(2-isopropoxyphenyl)methyl]propan-1-amine 3-(cyclopropylmethoxy)-N-[(2-iso…

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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)	3.37	8.55	-36.94	2	3	1	35	278.416	10	↓ MOL2 SDF SMILES Flexibase

35017609

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylmethoxy)-N-[(4-methyl-3-nitro-phenyl)methyl]propan-1-amine 3-(cyclopropylmethoxy)-N-[(4-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)	2.96	8.98	-54.57	2	5	1	72	279.36	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.96	7.62	-8.85	1	5	0	67	278.352	9	↓ MOL2 SDF SMILES Flexibase

35017613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine N-[(2-bromo-4,5-dimethoxy-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)	3.01	7.42	-43.17	2	4	1	44	359.284	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.01	6.06	-6.71	1	4	0	40	358.276	10	↓ MOL2 SDF SMILES Flexibase

35017615

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylmethoxy)-N-[(3,5-dibromo-4-ethoxy-phenyl)methyl]propan-1-amine 3-(cyclopropylmethoxy)-N-[(3,5-d…

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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)	4.53	9.33	-50.13	2	3	1	35	422.181	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.53	7.97	-4.54	1	3	0	30	421.173	10	↓ MOL2 SDF SMILES Flexibase

35017617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-allyloxyphenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine N-[(2-allyloxyphenyl)methyl]-3-(…

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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)	3.27	8.51	-37.21	2	3	1	35	276.4	11	↓ MOL2 SDF SMILES Flexibase

35017631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylmethoxy)-N-[(3-ethoxy-2-methoxy-phenyl)methyl]propan-1-amine 3-(cyclopropylmethoxy)-N-[(3-eth…

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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)	2.82	7.88	-40.41	2	4	1	44	294.415	11	↓ MOL2 SDF SMILES Flexibase

35017633

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3-(cyclopropylmethoxy)propan-1-amine N-[[5-bromo-2-(difluoromethoxy)p…

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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)	3.97	7.89	-44.83	2	3	1	35	365.238	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.97	6.51	-5.69	1	3	0	30	364.23	10	↓ MOL2 SDF SMILES Flexibase

35017635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[3-(cyclopropylmethoxy)propylamino]methyl]phenoxy]acetonitrile 2-[2-[[3-(cyclopropylmethoxy)pro…

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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)	2.42	7.7	-43.12	2	4	1	59	275.372	10	↓ MOL2 SDF SMILES Flexibase

35017640

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-chloro-4,5-dimethoxy-phenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine N-[(3-chloro-4,5-dimethoxy-pheny…

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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)	3.07	7.47	-51.69	2	4	1	44	314.833	10	↓ MOL2 SDF SMILES Flexibase

35017644

Analogs

42211057

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylmethoxy)-N-[(2,4,5-trimethylphenyl)methyl]propan-1-amine 3-(cyclopropylmethoxy)-N-[(2,4,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.82	9.4	-41.14	2	2	1	26	262.417	8	↓ MOL2 SDF SMILES Flexibase

35017648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[3-(cyclopropylmethoxy)propylamino]methyl]phenoxy]acetonitrile 2-[4-[[3-(cyclopropylmethoxy)pro…

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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	7.64	-51.52	2	4	1	59	275.372	10	↓ MOL2 SDF SMILES Flexibase

35368222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chloro-5-nitro-phenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine N-[(2-chloro-5-nitro-phenyl)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)	3.19	8.82	-47.88	2	5	1	72	299.778	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.19	7.43	-5.85	1	5	0	67	298.77	9	↓ MOL2 SDF SMILES Flexibase

35625383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[3-(cyclopropylmethoxy)propyl]-1-(2,4-dichlorophenyl)propan-1-amine (1S)-N-[3-(cyclopropylmethoxy)pr…

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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)	4.07	9.81	-41.68	2	2	1	26	317.28	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.07	9.09	-2.47	1	2	0	21	316.272	9	↓ MOL2 SDF SMILES Flexibase

35625385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[3-(cyclopropylmethoxy)propyl]-1-(2,4-dichlorophenyl)propan-1-amine (1R)-N-[3-(cyclopropylmethoxy)pr…

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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)	4.07	9.87	-41.55	2	2	1	26	317.28	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.07	8.87	-2.87	1	2	0	21	316.272	9	↓ MOL2 SDF SMILES Flexibase

35628925

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-[3-(cyclopropylmethoxy)propylamino]ethyl]-4-methyl-phenol 2-[(1R)-1-[3-(cyclopropylmethoxy…

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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)	3.55	6.19	-40.2	3	3	1	46	264.389	8	↓ MOL2 SDF SMILES Flexibase

35628926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-[3-(cyclopropylmethoxy)propylamino]ethyl]-4-methyl-phenol 2-[(1S)-1-[3-(cyclopropylmethoxy…

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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)	3.55	6.21	-41.49	3	3	1	46	264.389	8	↓ MOL2 SDF SMILES Flexibase

19992348

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine N-[(4-tert-butylphenyl)methyl]-3…

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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)	4.33	10.05	-41.64	2	2	1	26	276.444	9	↓ MOL2 SDF SMILES Flexibase

19998167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylmethoxy)-N-[(1R)-1-(4-propoxyphenyl)ethyl]propan-1-amine 3-(cyclopropylmethoxy)-N-[(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)	4.12	9.52	-43.59	2	3	1	35	292.443	11	↓ MOL2 SDF SMILES Flexibase

19998170

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylmethoxy)-N-[(1S)-1-(4-propoxyphenyl)ethyl]propan-1-amine 3-(cyclopropylmethoxy)-N-[(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)	4.12	9.51	-43.55	2	3	1	35	292.443	11	↓ MOL2 SDF SMILES Flexibase

20005083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[3-(cyclopropylmethoxy)propyl]-3-methyl-1-phenyl-butan-1-amine (1R)-N-[3-(cyclopropylmethoxy)pr…

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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)	3.56	10.31	-41.98	2	2	1	26	276.444	10	↓ MOL2 SDF SMILES Flexibase

20005086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[3-(cyclopropylmethoxy)propyl]-3-methyl-1-phenyl-butan-1-amine (1S)-N-[3-(cyclopropylmethoxy)pr…

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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)	3.56	10.29	-42.05	2	2	1	26	276.444	10	↓ MOL2 SDF SMILES Flexibase

20005478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylmethoxy)-N-[(1R)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine 3-(cyclopropylmethoxy)-N-[(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)	4.46	9.47	-41.2	2	2	1	26	303.253	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.46	8.31	-3.37	1	2	0	21	302.245	8	↓ MOL2 SDF SMILES Flexibase

20005481

Analogs

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Popular Name: 3-(cyclopropylmethoxy)-N-[(1S)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine 3-(cyclopropylmethoxy)-N-[(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)	4.46	9.45	-41.34	2	2	1	26	303.253	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.46	8.17	-2.83	1	2	0	21	302.245	8	↓ MOL2 SDF SMILES Flexibase

63002328

Analogs

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Popular Name: (2S)-1-(cyclopropylmethoxy)-3-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]propan-2-ol (2S)-1-(cyclopropylmethoxy)-3-[[…

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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)	1.26	2.16	-41.66	4	4	1	66	266.361	9	↓ MOL2 SDF SMILES Flexibase

63002329

Analogs

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Popular Name: (2S)-1-(cyclopropylmethoxy)-3-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]propan-2-ol (2S)-1-(cyclopropylmethoxy)-3-[[…

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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)	1.26	2.16	-41.66	4	4	1	66	266.361	9	↓ MOL2 SDF SMILES Flexibase

63002330

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylmethoxy)-3-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]propan-2-ol (2R)-1-(cyclopropylmethoxy)-3-[[…

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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)	1.26	2.13	-41.73	4	4	1	66	266.361	9	↓ MOL2 SDF SMILES Flexibase

63002331

Analogs

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Popular Name: (2R)-1-(cyclopropylmethoxy)-3-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]propan-2-ol (2R)-1-(cyclopropylmethoxy)-3-[[…

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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)	1.26	2.13	-41.73	4	4	1	66	266.361	9	↓ MOL2 SDF SMILES Flexibase

69879988

Analogs

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Popular Name: N-[4-[[[(2S)-3-(cyclopropylmethoxy)-2-hydroxy-propyl]amino]methyl]phenyl]acetamide N-[4-[[[(2S)-3-(cyclopropylmetho…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.92	3.54	-50.01	4	5	1	75	293.387	9	↓ MOL2 SDF SMILES Flexibase

69879989

Analogs

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Popular Name: N-[4-[[[(2R)-3-(cyclopropylmethoxy)-2-hydroxy-propyl]amino]methyl]phenyl]acetamide N-[4-[[[(2R)-3-(cyclopropylmetho…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.92	3.51	-50.2	4	5	1	75	293.387	9	↓ MOL2 SDF SMILES Flexibase

37177143

Analogs

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Popular Name: 3-(cyclopropylmethoxy)-N-[(1S)-1-(4-nitrophenyl)ethyl]propan-1-amine 3-(cyclopropylmethoxy)-N-[(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)	3.14	8.97	-55.39	2	5	1	72	279.36	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.14	7.85	-6.97	1	5	0	67	278.352	9	↓ MOL2 SDF SMILES Flexibase

37177144

Analogs

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Popular Name: 3-(cyclopropylmethoxy)-N-[(1R)-1-(4-nitrophenyl)ethyl]propan-1-amine 3-(cyclopropylmethoxy)-N-[(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)	3.14	8.97	-55.41	2	5	1	72	279.36	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.14	7.86	-7.8	1	5	0	67	278.352	9	↓ MOL2 SDF SMILES Flexibase

37224181

Analogs

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Popular Name: (1R)-N-[3-(cyclopropylmethoxy)propyl]-1-(4-ethylphenyl)propan-1-amine (1R)-N-[3-(cyclopropylmethoxy)pr…

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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)	3.70	10.44	-37.9	2	2	1	26	276.444	10	↓ MOL2 SDF SMILES Flexibase

37224182

Analogs

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Popular Name: (1S)-N-[3-(cyclopropylmethoxy)propyl]-1-(4-ethylphenyl)propan-1-amine (1S)-N-[3-(cyclopropylmethoxy)pr…

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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)	3.70	10.44	-37.82	2	2	1	26	276.444	10	↓ MOL2 SDF SMILES Flexibase

37233293

Analogs

43388591

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Popular Name: 3-(cyclopropylmethoxy)-N-[(2,5-difluorophenyl)methyl]propan-1-amine 3-(cyclopropylmethoxy)-N-[(2,5-d…

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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)	2.88	7.73	-41.81	2	2	1	26	256.316	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.88	6.36	-3.71	1	2	0	21	255.308	8	↓ MOL2 SDF SMILES Flexibase

37236993

Analogs

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Popular Name: 4-[(1S)-1-[3-(cyclopropylmethoxy)propylamino]ethyl]benzenesulfonamide 4-[(1S)-1-[3-(cyclopropylmethoxy…

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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	3.22	-54.39	4	5	1	86	313.443	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.88	2.1	-10.56	3	5	0	81	312.435	9	↓ MOL2 SDF SMILES Flexibase

37236995

Analogs

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Popular Name: 4-[(1R)-1-[3-(cyclopropylmethoxy)propylamino]ethyl]benzenesulfonamide 4-[(1R)-1-[3-(cyclopropylmethoxy…

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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	3.22	-53.51	4	5	1	86	313.443	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.88	2.12	-11.39	3	5	0	81	312.435	9	↓ MOL2 SDF SMILES Flexibase

37236997

Analogs

45657455
45657457
45657459
45657461

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-[3-(cyclopropylmethoxy)propylamino]ethyl]benzenesulfonamide 3-[(1S)-1-[3-(cyclopropylmethoxy…

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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)	1.85	3.19	-53.28	4	5	1	86	313.443	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.85	2.08	-10.39	3	5	0	81	312.435	9	↓ MOL2 SDF SMILES Flexibase

37236999

Analogs

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Popular Name: 3-[(1R)-1-[3-(cyclopropylmethoxy)propylamino]ethyl]benzenesulfonamide 3-[(1R)-1-[3-(cyclopropylmethoxy…

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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)	1.85	3.19	-52.19	4	5	1	86	313.443	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.85	2.1	-11.29	3	5	0	81	312.435	9	↓ MOL2 SDF SMILES Flexibase

37237001

Analogs

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Popular Name: 2-[4-[(1S)-1-[3-(cyclopropylmethoxy)propylamino]ethyl]phenoxy]acetonitrile 2-[4-[(1S)-1-[3-(cyclopropylmeth…

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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)	3.02	8.27	-49.02	2	4	1	59	289.399	10	↓ MOL2 SDF SMILES Flexibase

37237003

Analogs

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Popular Name: 2-[4-[(1R)-1-[3-(cyclopropylmethoxy)propylamino]ethyl]phenoxy]acetonitrile 2-[4-[(1R)-1-[3-(cyclopropylmeth…

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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)	3.02	8.25	-48.93	2	4	1	59	289.399	10	↓ MOL2 SDF SMILES Flexibase

37237005

Analogs

37996792

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Popular Name: 2-[3-[[3-(cyclopropylmethoxy)propylamino]methyl]phenoxy]acetonitrile 2-[3-[[3-(cyclopropylmethoxy)pro…

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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)	2.44	7.64	-48.32	2	4	1	59	275.372	10	↓ MOL2 SDF SMILES Flexibase

37237007

Analogs

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Popular Name: 3-(cyclopropylmethoxy)-N-[(4-isopropoxyphenyl)methyl]propan-1-amine 3-(cyclopropylmethoxy)-N-[(4-iso…

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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)	3.42	8.48	-44.19	2	3	1	35	278.416	10	↓ MOL2 SDF SMILES Flexibase

37237013

Analogs

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Popular Name: methyl methyl

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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)	2.40	8.22	-34.91	2	4	1	52	278.372	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.40	6.86	-6.1	1	4	0	48	277.364	10	↓ MOL2 SDF SMILES Flexibase

37237015

Analogs

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Popular Name: (1S)-N-[3-(cyclopropylmethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine (1S)-N-[3-(cyclopropylmethoxy)pr…

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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)	2.79	8.3	-36.75	2	3	1	35	278.416	10	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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