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Quick Search ZINC ID or SMILES

Synonyms (0)
Vendors (8)
Annotations (1)
Representations (1)
Notes (0)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (18)

ZINC20089940

20089940

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
November 16^th, 2008	20	Yes

Popular Name: N-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-fluoro-aniline N-[(3-ethoxy-4-methoxy-phenyl)me…

Find On: PubMed — Wikipedia — Google

SMILES:

Download: MOL2 SDF SMILES Flexibase

Annotations

PubChem
- 23968256

Vendors

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)	3.36	7.31	-7.68	1	3	0	30	275.323	6	↓ MOL2 SDF SMILES Flexibase

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

Zinc Item 32102035

Zinc Item 32102035

Analogs

37998326
280279

Popular Name: N-[(3-ethoxyphenyl)methyl]-3-fluoro-aniline N-[(3-ethoxyphenyl)methyl]-3-flu…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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)	3.74	7.4	-5.46	1	2	0	21	245.297	5	↓ MOL2 SDF SMILES Flexibase

More about ZINC32102035

Zinc Item 32121664

Zinc Item 32121664

Analogs

280279

Popular Name: 3-fluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]aniline 3-fluoro-N-[[3-(2-methoxyethoxy)…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39374235

Draw Identity 99% 90% 80% 70%

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)	3.26	6.66	-7.35	1	3	0	30	275.323	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC32121664

Zinc Item 32130927

Zinc Item 32130927

Analogs

19738141
4739735

Popular Name: N-[[3-(cyclopentoxy)phenyl]methyl]-3-fluoro-aniline N-[[3-(cyclopentoxy)phenyl]methy…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39385530

Draw Identity 99% 90% 80% 70%

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)	4.77	9.37	-5.24	1	2	0	21	285.362	5	↓ MOL2 SDF SMILES Flexibase

More about ZINC32130927

Zinc Item 32141310

Zinc Item 32141310

Analogs

44885328
52429366
280279

Popular Name: N-[[3-(2-dimethylaminoethyloxy)phenyl]methyl]-3-fluoro-aniline N-[[3-(2-dimethylaminoethyloxy)p…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39390541

Draw Identity 99% 90% 80% 70%

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)	3.40	8.95	-38.25	2	3	1	26	289.374	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.40	6.35	-5.98	1	3	0	24	288.366	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC32141310

Zinc Item 32143833

Zinc Item 32143833

Analogs

20089940

Popular Name: 3-fluoro-N-[(4-methoxy-3-propoxy-phenyl)methyl]aniline 3-fluoro-N-[(4-methoxy-3-propoxy…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39392819

Draw Identity 99% 90% 80% 70%

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)	3.86	8.11	-7.4	1	3	0	30	289.35	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC32143833

Zinc Item 32143839

Zinc Item 32143839

Analogs

4739739

Popular Name: 4-fluoro-N-[(3-isopropoxy-4-methoxy-phenyl)methyl]aniline 4-fluoro-N-[(3-isopropoxy-4-meth…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39392823

Draw Identity 99% 90% 80% 70%

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)	3.74	7.92	-7.77	1	3	0	30	289.35	6	↓ MOL2 SDF SMILES Flexibase

More about ZINC32143839

Zinc Item 32143842

Zinc Item 32143842

Analogs

20089940

Popular Name: 3-fluoro-N-[(3-isopropoxy-4-methoxy-phenyl)methyl]aniline 3-fluoro-N-[(3-isopropoxy-4-meth…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39392825

Draw Identity 99% 90% 80% 70%

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)	3.72	7.92	-7.6	1	3	0	30	289.35	6	↓ MOL2 SDF SMILES Flexibase

More about ZINC32143842

Zinc Item 32143848

Zinc Item 32143848

Analogs

20089940

Popular Name: 3-fluoro-N-[(3-methoxy-4-propoxy-phenyl)methyl]aniline 3-fluoro-N-[(3-methoxy-4-propoxy…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39392829

Draw Identity 99% 90% 80% 70%

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)	3.86	8.11	-7.49	1	3	0	30	289.35	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC32143848

Zinc Item 32196043

Zinc Item 32196043

Analogs

32196067
2140658

Popular Name: N-[(3-butoxy-4-methoxy-phenyl)methyl]-2-fluoro-aniline N-[(3-butoxy-4-methoxy-phenyl)me…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39430215

Draw Identity 99% 90% 80% 70%

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)	4.39	8.9	-7.02	1	3	0	30	303.377	8	↓ MOL2 SDF SMILES Flexibase

More about ZINC32196043

Zinc Item 32196048

Zinc Item 32196048

Analogs

32196075
20089940

Popular Name: N-[(3-butoxy-4-methoxy-phenyl)methyl]-3-fluoro-aniline N-[(3-butoxy-4-methoxy-phenyl)me…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39430220

Draw Identity 99% 90% 80% 70%

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)	4.42	8.88	-7.39	1	3	0	30	303.377	8	↓ MOL2 SDF SMILES Flexibase

More about ZINC32196048

Zinc Item 32196059

Zinc Item 32196059

Analogs

32196086
20089940

Popular Name: 3-fluoro-N-[(3-isobutoxy-4-methoxy-phenyl)methyl]aniline 3-fluoro-N-[(3-isobutoxy-4-metho…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39430228

Draw Identity 99% 90% 80% 70%

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)	4.10	8.79	-7.32	1	3	0	30	303.377	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC32196059

Zinc Item 32196075

Zinc Item 32196075

Analogs

20089940

Popular Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-3-fluoro-aniline N-[(4-butoxy-3-methoxy-phenyl)me…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39430241

Draw Identity 99% 90% 80% 70%

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)	4.42	8.88	-7.39	1	3	0	30	303.377	8	↓ MOL2 SDF SMILES Flexibase

More about ZINC32196075

Zinc Item 32196086

Zinc Item 32196086

Analogs

20089940

Popular Name: 3-fluoro-N-[(4-isobutoxy-3-methoxy-phenyl)methyl]aniline 3-fluoro-N-[(4-isobutoxy-3-metho…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39430250

Draw Identity 99% 90% 80% 70%

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)	4.10	8.79	-7.29	1	3	0	30	303.377	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC32196086

Zinc Item 32201187

Zinc Item 32201187

Analogs

32201199
20089940

Popular Name: 3-fluoro-N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]aniline 3-fluoro-N-[[4-methoxy-3-(2-meth…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39435435

Draw Identity 99% 90% 80% 70%

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)	2.87	6.6	-9.72	1	4	0	40	305.349	8	↓ MOL2 SDF SMILES Flexibase

More about ZINC32201187

Zinc Item 32201191

Zinc Item 32201191

Analogs

4739739

Popular Name: 2-fluoro-N-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]aniline 2-fluoro-N-[[3-methoxy-4-(2-meth…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39435439

Draw Identity 99% 90% 80% 70%

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)	2.85	6.61	-9.52	1	4	0	40	305.349	8	↓ MOL2 SDF SMILES Flexibase

More about ZINC32201191

Zinc Item 32201199

Zinc Item 32201199

Analogs

20089940

Popular Name: 3-fluoro-N-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]aniline 3-fluoro-N-[[3-methoxy-4-(2-meth…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39435447

Draw Identity 99% 90% 80% 70%

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)	2.87	6.6	-10.03	1	4	0	40	305.349	8	↓ MOL2 SDF SMILES Flexibase

More about ZINC32201199

Zinc Item 32233010

Zinc Item 32233010

Analogs

32233023
263337

Popular Name: N1-[(4-methoxy-3-propoxy-phenyl)methyl]-N4,N4-dimethyl-benzene-1,4-diamine N1-[(4-methoxy-3-propoxy-phenyl)…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39457000

Draw Identity 99% 90% 80% 70%

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	8.54	-7.35	1	4	0	34	314.429	8	↓ MOL2 SDF SMILES Flexibase

More about ZINC32233010

Zinc Item 32233023

Zinc Item 32233023

Analogs

2140658

Popular Name: N1-[(3-methoxy-4-propoxy-phenyl)methyl]-N4,N4-dimethyl-benzene-1,4-diamine N1-[(3-methoxy-4-propoxy-phenyl)…

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 39457010

Draw Identity 99% 90% 80% 70%

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	8.53	-7.37	1	4	0	34	314.429	8	↓ MOL2 SDF SMILES Flexibase

More about ZINC32233023

Synonyms (0)
Vendors (8)
Annotations (1)
Representations (1)
Notes (0)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (18)