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ZINC Item

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61698023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(3-fluorophenyl)aniline 4-[(1R)-1-aminoethyl]-2-chloro-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.72	8.84	-49.6	3	2	1	31	293.793	4	↓ MOL2 SDF SMILES Flexibase

61698024

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(3-fluorophenyl)aniline 4-[(1S)-1-aminoethyl]-2-chloro-N…

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)	2.72	8.84	-49.94	3	2	1	31	293.793	4	↓ MOL2 SDF SMILES Flexibase

61698063

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-aminoethyl]-2-chloro-N-(4-fluorophenyl)-N-methyl-aniline 4-[(1S)-1-aminoethyl]-2-chloro-N…

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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)	2.37	7.98	-51.29	3	2	1	31	279.766	3	↓ MOL2 SDF SMILES Flexibase

61698064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-aminoethyl]-2-chloro-N-(4-fluorophenyl)-N-methyl-aniline 4-[(1R)-1-aminoethyl]-2-chloro-N…

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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)	2.37	7.98	-51.13	3	2	1	31	279.766	3	↓ MOL2 SDF SMILES Flexibase

61698065

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(4-fluorophenyl)-N-methyl-4-[(1S)-1-(methylamino)ethyl]aniline 2-chloro-N-(4-fluorophenyl)-N-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)	4.62	9.75	-45.7	2	2	1	20	293.793	4	↓ MOL2 SDF SMILES Flexibase

61698066

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(4-fluorophenyl)-N-methyl-4-[(1R)-1-(methylamino)ethyl]aniline 2-chloro-N-(4-fluorophenyl)-N-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)	4.62	9.76	-45.52	2	2	1	20	293.793	4	↓ MOL2 SDF SMILES Flexibase

61698067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-aminoethyl]-2-bromo-N-(4-fluorophenyl)-N-methyl-aniline 4-[(1S)-1-aminoethyl]-2-bromo-N-…

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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)	2.50	8.15	-51.26	3	2	1	31	324.217	3	↓ MOL2 SDF SMILES Flexibase

61698068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-aminoethyl]-2-bromo-N-(4-fluorophenyl)-N-methyl-aniline 4-[(1R)-1-aminoethyl]-2-bromo-N-…

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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)	2.50	8.14	-51.11	3	2	1	31	324.217	3	↓ MOL2 SDF SMILES Flexibase

61698069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-(4-fluorophenyl)-N-methyl-4-[(1S)-1-(methylamino)ethyl]aniline 2-bromo-N-(4-fluorophenyl)-N-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)	4.76	9.92	-45.57	2	2	1	20	338.244	4	↓ MOL2 SDF SMILES Flexibase

61698070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-(4-fluorophenyl)-N-methyl-4-[(1R)-1-(methylamino)ethyl]aniline 2-bromo-N-(4-fluorophenyl)-N-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)	4.76	9.92	-45.5	2	2	1	20	338.244	4	↓ MOL2 SDF SMILES Flexibase

61698071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-aminoethyl]-2-chloro-N-(2-methoxyphenyl)-N-methyl-aniline 4-[(1S)-1-aminoethyl]-2-chloro-N…

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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)	2.22	7.95	-48.32	3	3	1	40	291.802	4	↓ MOL2 SDF SMILES Flexibase

61698072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-aminoethyl]-2-chloro-N-(2-methoxyphenyl)-N-methyl-aniline 4-[(1R)-1-aminoethyl]-2-chloro-N…

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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)	2.22	7.94	-47.95	3	3	1	40	291.802	4	↓ MOL2 SDF SMILES Flexibase

61698073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(2-methoxyphenyl)-N-methyl-4-[(1S)-1-(methylamino)ethyl]aniline 2-chloro-N-(2-methoxyphenyl)-N-m…

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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)	4.47	9.71	-42.74	2	3	1	29	305.829	5	↓ MOL2 SDF SMILES Flexibase

61698074

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(2-methoxyphenyl)-N-methyl-4-[(1R)-1-(methylamino)ethyl]aniline 2-chloro-N-(2-methoxyphenyl)-N-m…

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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)	4.47	9.71	-42.44	2	3	1	29	305.829	5	↓ MOL2 SDF SMILES Flexibase

61698075

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-aminoethyl]-2-bromo-N-(2-methoxyphenyl)-N-methyl-aniline 4-[(1S)-1-aminoethyl]-2-bromo-N-…

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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)	2.35	7.81	-47.65	3	3	1	40	336.253	4	↓ MOL2 SDF SMILES Flexibase

61698076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-aminoethyl]-2-bromo-N-(2-methoxyphenyl)-N-methyl-aniline 4-[(1R)-1-aminoethyl]-2-bromo-N-…

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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)	2.35	7.81	-47.88	3	3	1	40	336.253	4	↓ MOL2 SDF SMILES Flexibase

61698077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-(2-methoxyphenyl)-N-methyl-4-[(1S)-1-(methylamino)ethyl]aniline 2-bromo-N-(2-methoxyphenyl)-N-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)	4.60	9.58	-42.11	2	3	1	29	350.28	5	↓ MOL2 SDF SMILES Flexibase

61698078

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-(2-methoxyphenyl)-N-methyl-4-[(1R)-1-(methylamino)ethyl]aniline 2-bromo-N-(2-methoxyphenyl)-N-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)	4.60	9.57	-42.27	2	3	1	29	350.28	5	↓ MOL2 SDF SMILES Flexibase

61698079

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-aminoethyl]-2-chloro-N-(3-methoxyphenyl)-N-methyl-aniline 4-[(1S)-1-aminoethyl]-2-chloro-N…

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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)	2.24	7.21	-51.9	3	3	1	40	291.802	4	↓ MOL2 SDF SMILES Flexibase

61698080

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-aminoethyl]-2-chloro-N-(3-methoxyphenyl)-N-methyl-aniline 4-[(1R)-1-aminoethyl]-2-chloro-N…

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)	2.24	7.2	-52.08	3	3	1	40	291.802	4	↓ MOL2 SDF SMILES Flexibase

61698081

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(3-methoxyphenyl)-N-methyl-4-[(1S)-1-(methylamino)ethyl]aniline 2-chloro-N-(3-methoxyphenyl)-N-m…

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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)	4.49	8.98	-46.23	2	3	1	29	305.829	5	↓ MOL2 SDF SMILES Flexibase

61698082

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(3-methoxyphenyl)-N-methyl-4-[(1R)-1-(methylamino)ethyl]aniline 2-chloro-N-(3-methoxyphenyl)-N-m…

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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)	4.49	8.99	-46.38	2	3	1	29	305.829	5	↓ MOL2 SDF SMILES Flexibase

61698083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-aminoethyl]-2-bromo-N-(3-methoxyphenyl)-N-methyl-aniline 4-[(1S)-1-aminoethyl]-2-bromo-N-…

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)	2.37	7.38	-51.85	3	3	1	40	336.253	4	↓ MOL2 SDF SMILES Flexibase

61698084

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-aminoethyl]-2-bromo-N-(3-methoxyphenyl)-N-methyl-aniline 4-[(1R)-1-aminoethyl]-2-bromo-N-…

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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)	2.37	7.37	-51.97	3	3	1	40	336.253	4	↓ MOL2 SDF SMILES Flexibase

61698085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-(3-methoxyphenyl)-N-methyl-4-[(1S)-1-(methylamino)ethyl]aniline 2-bromo-N-(3-methoxyphenyl)-N-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)	4.62	9.15	-46.12	2	3	1	29	350.28	5	↓ MOL2 SDF SMILES Flexibase

61698086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-(3-methoxyphenyl)-N-methyl-4-[(1R)-1-(methylamino)ethyl]aniline 2-bromo-N-(3-methoxyphenyl)-N-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)	4.62	9.15	-46.22	2	3	1	29	350.28	5	↓ MOL2 SDF SMILES Flexibase

61698087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-aminoethyl]-2-chloro-N-(4-methoxyphenyl)-N-methyl-aniline 4-[(1S)-1-aminoethyl]-2-chloro-N…

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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)	2.27	7.21	-51.11	3	3	1	40	291.802	4	↓ MOL2 SDF SMILES Flexibase

61698088

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-aminoethyl]-2-chloro-N-(4-methoxyphenyl)-N-methyl-aniline 4-[(1R)-1-aminoethyl]-2-chloro-N…

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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)	2.27	7.2	-50.84	3	3	1	40	291.802	4	↓ MOL2 SDF SMILES Flexibase

61698089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(4-methoxyphenyl)-N-methyl-4-[(1S)-1-(methylamino)ethyl]aniline 2-chloro-N-(4-methoxyphenyl)-N-m…

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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)	4.52	8.97	-45.46	2	3	1	29	305.829	5	↓ MOL2 SDF SMILES Flexibase

61698090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(4-methoxyphenyl)-N-methyl-4-[(1R)-1-(methylamino)ethyl]aniline 2-chloro-N-(4-methoxyphenyl)-N-m…

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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)	4.52	8.97	-45.14	2	3	1	29	305.829	5	↓ MOL2 SDF SMILES Flexibase

61698091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-aminoethyl]-2-bromo-N-(4-methoxyphenyl)-N-methyl-aniline 4-[(1S)-1-aminoethyl]-2-bromo-N-…

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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	7.38	-51.05	3	3	1	40	336.253	4	↓ MOL2 SDF SMILES Flexibase

61698092

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-aminoethyl]-2-bromo-N-(4-methoxyphenyl)-N-methyl-aniline 4-[(1R)-1-aminoethyl]-2-bromo-N-…

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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	7.37	-50.75	3	3	1	40	336.253	4	↓ MOL2 SDF SMILES Flexibase

61698093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-(4-methoxyphenyl)-N-methyl-4-[(1S)-1-(methylamino)ethyl]aniline 2-bromo-N-(4-methoxyphenyl)-N-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)	4.65	9.14	-45.36	2	3	1	29	350.28	5	↓ MOL2 SDF SMILES Flexibase

61698094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-(4-methoxyphenyl)-N-methyl-4-[(1R)-1-(methylamino)ethyl]aniline 2-bromo-N-(4-methoxyphenyl)-N-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)	4.65	9.14	-45.11	2	3	1	29	350.28	5	↓ MOL2 SDF SMILES Flexibase

61698095

Analogs

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Popular Name: 4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(o-tolyl)aniline 4-[(1R)-1-aminoethyl]-2-chloro-N…

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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)	2.61	8.97	-45.6	3	2	1	31	275.803	3	↓ MOL2 SDF SMILES Flexibase

61698096

Analogs

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Popular Name: 4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(o-tolyl)aniline 4-[(1S)-1-aminoethyl]-2-chloro-N…

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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)	2.61	8.97	-46.04	3	2	1	31	275.803	3	↓ MOL2 SDF SMILES Flexibase

61698097

Analogs

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Popular Name: 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(o-tolyl)aniline 4-[(1R)-1-aminoethyl]-2-bromo-N-…

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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)	2.74	9.04	-45.43	3	2	1	31	320.254	3	↓ MOL2 SDF SMILES Flexibase

61698098

Analogs

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Popular Name: 4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-(o-tolyl)aniline 4-[(1S)-1-aminoethyl]-2-bromo-N-…

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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)	2.74	9.04	-45.95	3	2	1	31	320.254	3	↓ MOL2 SDF SMILES Flexibase

61698099

Analogs

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Popular Name: 4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(m-tolyl)aniline 4-[(1R)-1-aminoethyl]-2-chloro-N…

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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)	2.63	8.56	-47.86	3	2	1	31	275.803	3	↓ MOL2 SDF SMILES Flexibase

61698100

Analogs

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Popular Name: 4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(m-tolyl)aniline 4-[(1S)-1-aminoethyl]-2-chloro-N…

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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)	2.63	8.56	-47.99	3	2	1	31	275.803	3	↓ MOL2 SDF SMILES Flexibase

61698101

Analogs

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Popular Name: 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(m-tolyl)aniline 4-[(1R)-1-aminoethyl]-2-bromo-N-…

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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)	2.76	8.73	-47.67	3	2	1	31	320.254	3	↓ MOL2 SDF SMILES Flexibase

61698102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-(m-tolyl)aniline 4-[(1S)-1-aminoethyl]-2-bromo-N-…

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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)	2.76	8.73	-47.74	3	2	1	31	320.254	3	↓ MOL2 SDF SMILES Flexibase

61698103

Analogs

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Popular Name: 4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(p-tolyl)aniline 4-[(1R)-1-aminoethyl]-2-chloro-N…

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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)	2.66	8.57	-47.8	3	2	1	31	275.803	3	↓ MOL2 SDF SMILES Flexibase

61698104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(p-tolyl)aniline 4-[(1S)-1-aminoethyl]-2-chloro-N…

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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)	2.66	8.57	-47.92	3	2	1	31	275.803	3	↓ MOL2 SDF SMILES Flexibase

61698105

Analogs

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Popular Name: 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(p-tolyl)aniline 4-[(1R)-1-aminoethyl]-2-bromo-N-…

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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	8.74	-47.62	3	2	1	31	320.254	3	↓ MOL2 SDF SMILES Flexibase

61698106

Analogs

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Popular Name: 4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-(p-tolyl)aniline 4-[(1S)-1-aminoethyl]-2-bromo-N-…

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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	8.74	-47.62	3	2	1	31	320.254	3	↓ MOL2 SDF SMILES Flexibase

61698107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-aminoethyl]-2-chloro-N-(2-fluorophenyl)-N-methyl-aniline 4-[(1S)-1-aminoethyl]-2-chloro-N…

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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)	2.32	8.11	-50.42	3	2	1	31	279.766	3	↓ MOL2 SDF SMILES Flexibase

61698108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-aminoethyl]-2-chloro-N-(2-fluorophenyl)-N-methyl-aniline 4-[(1R)-1-aminoethyl]-2-chloro-N…

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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)	2.32	8.1	-50.07	3	2	1	31	279.766	3	↓ MOL2 SDF SMILES Flexibase

61698109

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(2-fluorophenyl)-N-methyl-4-[(1S)-1-(methylamino)ethyl]aniline 2-chloro-N-(2-fluorophenyl)-N-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)	4.58	9.87	-44.76	2	2	1	20	293.793	4	↓ MOL2 SDF SMILES Flexibase

61698110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(2-fluorophenyl)-N-methyl-4-[(1R)-1-(methylamino)ethyl]aniline 2-chloro-N-(2-fluorophenyl)-N-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)	4.58	9.87	-44.47	2	2	1	20	293.793	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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