ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

54858341

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-methyl-N-[(1-methyltriazol-4-yl)methyl]aniline 5-chloro-2-methyl-N-[(1-methyltr…

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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	4.9	-9.76	1	4	0	43	236.706	3	↓ MOL2 SDF SMILES Flexibase

54858346

Analogs

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Popular Name: 3-ethynyl-N-[(1-methyltriazol-4-yl)methyl]aniline 3-ethynyl-N-[(1-methyltriazol-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)	1.09	4.79	-12.05	1	4	0	43	212.256	3	↓ MOL2 SDF SMILES Flexibase

54858349

Analogs

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Popular Name: 3-methyl-N-[(1-methyltriazol-4-yl)methyl]aniline 3-methyl-N-[(1-methyltriazol-4-y…

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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)	1.77	4.27	-9.91	1	4	0	43	202.261	3	↓ MOL2 SDF SMILES Flexibase

54858350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-N-[(1-methyltriazol-4-yl)methyl]aniline 2,4-dimethyl-N-[(1-methyltriazol…

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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)	2.17	5.06	-9.89	1	4	0	43	216.288	3	↓ MOL2 SDF SMILES Flexibase

54858360

Analogs

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Popular Name: N-[(1-methyltriazol-4-yl)methyl]aniline N-[(1-methyltriazol-4-yl)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)	1.35	3.6	-9.83	1	4	0	43	188.234	3	↓ MOL2 SDF SMILES Flexibase

54858387

Analogs

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Popular Name: N-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide N-[4-[(1-methyltriazol-4-yl)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)	0.57	2.5	-15.9	2	6	0	72	245.286	4	↓ MOL2 SDF SMILES Flexibase

54858392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)aniline 2-chloro-N-[(1-methyltriazol-4-y…

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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)	2.85	5.18	-9.9	1	4	0	43	290.676	4	↓ MOL2 SDF SMILES Flexibase

54858401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dichloro-N-[(1-methyltriazol-4-yl)methyl]aniline 2,5-dichloro-N-[(1-methyltriazol…

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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	4.7	-9.49	1	4	0	43	257.124	3	↓ MOL2 SDF SMILES Flexibase

54858403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline 3-methylsulfanyl-N-[(1-methyltri…

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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)	1.76	4.62	-11.33	1	4	0	43	234.328	4	↓ MOL2 SDF SMILES Flexibase

54858405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-methyl-N-[(1-methyltriazol-4-yl)methyl]aniline 3-chloro-4-methyl-N-[(1-methyltr…

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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	4.7	-9.82	1	4	0	43	236.706	3	↓ MOL2 SDF SMILES Flexibase

54858414

Analogs

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Popular Name: 2-bromo-4-methyl-N-[(1-methyltriazol-4-yl)methyl]aniline 2-bromo-4-methyl-N-[(1-methyltri…

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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)	2.53	4.98	-10.44	1	4	0	43	281.157	3	↓ MOL2 SDF SMILES Flexibase

54858419

Analogs

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Popular Name: 2-methoxy-N-[(1-methyltriazol-4-yl)methyl]aniline 2-methoxy-N-[(1-methyltriazol-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)	1.36	3.01	-11.43	1	5	0	52	218.26	4	↓ MOL2 SDF SMILES Flexibase

54858421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline 4-ethoxy-N-[(1-methyltriazol-4-y…

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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	3.81	-11.03	1	5	0	52	232.287	5	↓ MOL2 SDF SMILES Flexibase

54858430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline 2,4-dimethoxy-N-[(1-methyltriazo…

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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)	1.39	2.31	-12.63	1	6	0	61	248.286	5	↓ MOL2 SDF SMILES Flexibase

54858431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-methoxy-N-[(1-methyltriazol-4-yl)methyl]aniline 3-chloro-4-methoxy-N-[(1-methylt…

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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)	2.01	3.43	-12.21	1	5	0	52	252.705	4	↓ MOL2 SDF SMILES Flexibase

54858439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline 2-ethoxy-N-[(1-methyltriazol-4-y…

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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)	1.73	3.94	-11.23	1	5	0	52	232.287	5	↓ MOL2 SDF SMILES Flexibase

54858445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-methoxy-5-methyl-N-[(1-methyltriazol-4-yl)methyl]aniline 4-chloro-2-methoxy-5-methyl-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)	2.39	4.11	-11.09	1	5	0	52	266.732	4	↓ MOL2 SDF SMILES Flexibase

54858450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)aniline N-[(1-methyltriazol-4-yl)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)	2.20	4.8	-11.64	1	4	0	43	256.231	4	↓ MOL2 SDF SMILES Flexibase

54858452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)aniline N-[(1-methyltriazol-4-yl)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)	2.22	4.61	-10.93	1	4	0	43	256.231	4	↓ MOL2 SDF SMILES Flexibase

54858454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trimethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline 3,4,5-trimethoxy-N-[(1-methyltri…

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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)	0.98	2.73	-15.48	1	7	0	70	278.312	6	↓ MOL2 SDF SMILES Flexibase

54858456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(1-methyltriazol-4-yl)methyl]aniline 4-tert-butyl-N-[(1-methyltriazol…

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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)	3.05	5.92	-9.44	1	4	0	43	244.342	4	↓ MOL2 SDF SMILES Flexibase

54858460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-2-methyl-N-[(1-methyltriazol-4-yl)methyl]aniline 3-chloro-2-methyl-N-[(1-methyltr…

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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)	2.38	4.82	-10.17	1	4	0	43	236.706	3	↓ MOL2 SDF SMILES Flexibase

54858462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-[(1-methyltriazol-4-yl)methyl]aniline 2,4-dichloro-N-[(1-methyltriazol…

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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	4.7	-10.32	1	4	0	43	257.124	3	↓ MOL2 SDF SMILES Flexibase

54858464

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-methyl-N-[(1-methyltriazol-4-yl)methyl]aniline 4-bromo-2-methyl-N-[(1-methyltri…

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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)	2.53	5.01	-9.87	1	4	0	43	281.157	3	↓ MOL2 SDF SMILES Flexibase

54858471

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2,5-dimethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline 4-chloro-2,5-dimethoxy-N-[(1-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)	2.00	2.87	-12.79	1	6	0	61	282.731	5	↓ MOL2 SDF SMILES Flexibase

54858477

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4,5-trichloro-N-[(1-methyltriazol-4-yl)methyl]aniline 2,4,5-trichloro-N-[(1-methyltria…

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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)	3.24	5.14	-9.65	1	4	0	43	291.569	3	↓ MOL2 SDF SMILES Flexibase

54858479

Analogs

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Popular Name: 4-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline 4-methylsulfanyl-N-[(1-methyltri…

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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	4.61	-10.8	1	4	0	43	234.328	4	↓ MOL2 SDF SMILES Flexibase

54858483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-diethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline 2,5-diethoxy-N-[(1-methyltriazol…

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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	4.15	-11.89	1	6	0	61	276.34	7	↓ MOL2 SDF SMILES Flexibase

54858486

Analogs

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Popular Name: 2-(difluoromethylsulfanyl)-N-[(1-methyltriazol-4-yl)methyl]aniline 2-(difluoromethylsulfanyl)-N-[(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)	2.29	4.97	-12.39	1	4	0	43	270.308	5	↓ MOL2 SDF SMILES Flexibase

54858494

Analogs

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Popular Name: 2-isopropyl-N-[(1-methyltriazol-4-yl)methyl]aniline 2-isopropyl-N-[(1-methyltriazol-…

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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	5.64	-9.58	1	4	0	43	230.315	4	↓ MOL2 SDF SMILES Flexibase

54858500

Analogs

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Popular Name: 2,3,4-trifluoro-N-[(1-methyltriazol-4-yl)methyl]aniline 2,3,4-trifluoro-N-[(1-methyltria…

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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)	1.70	3.8	-14.43	1	4	0	43	242.204	3	↓ MOL2 SDF SMILES Flexibase

54858501

Analogs

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Popular Name: 2,5-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline 2,5-difluoro-N-[(1-methyltriazol…

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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	3.76	-10.38	1	4	0	43	224.214	3	↓ MOL2 SDF SMILES Flexibase

54858504

Analogs

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Popular Name: 4-bromo-2-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline 4-bromo-2-fluoro-N-[(1-methyltri…

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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)	2.25	4.31	-10.83	1	4	0	43	285.12	3	↓ MOL2 SDF SMILES Flexibase

54858505

Analogs

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Popular Name: 4-bromo-3-methyl-N-[(1-methyltriazol-4-yl)methyl]aniline 4-bromo-3-methyl-N-[(1-methyltri…

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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)	2.53	4.79	-9.98	1	4	0	43	281.157	3	↓ MOL2 SDF SMILES Flexibase

54858508

Analogs

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Popular Name: 3,4-dimethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline 3,4-dimethoxy-N-[(1-methyltriazo…

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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)	1.00	2.79	-13.88	1	6	0	61	248.286	5	↓ MOL2 SDF SMILES Flexibase

54858512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline 3,5-dimethoxy-N-[(1-methyltriazo…

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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)	1.39	2.21	-12.44	1	6	0	61	248.286	5	↓ MOL2 SDF SMILES Flexibase

54858514

Analogs

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Popular Name: N-[(1-methyltriazol-4-yl)methyl]-4-(trifluoromethyl)aniline N-[(1-methyltriazol-4-yl)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)	2.24	4.6	-10.62	1	4	0	43	256.231	4	↓ MOL2 SDF SMILES Flexibase

54858519

Analogs

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Popular Name: 2,5-dimethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline 2,5-dimethoxy-N-[(1-methyltriazo…

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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)	1.39	2.3	-12.27	1	6	0	61	248.286	5	↓ MOL2 SDF SMILES Flexibase

54858521

Analogs

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Popular Name: 4-chloro-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)aniline 4-chloro-N-[(1-methyltriazol-4-y…

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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)	2.85	5.32	-11.34	1	4	0	43	290.676	4	↓ MOL2 SDF SMILES Flexibase

54858523

Analogs

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Popular Name: 5-chloro-2,4-dimethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline 5-chloro-2,4-dimethoxy-N-[(1-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)	2.00	2.87	-12.48	1	6	0	61	282.731	5	↓ MOL2 SDF SMILES Flexibase

54858525

Analogs

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Popular Name: 3,5-dichloro-N-[(1-methyltriazol-4-yl)methyl]aniline 3,5-dichloro-N-[(1-methyltriazol…

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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	4.62	-9.41	1	4	0	43	257.124	3	↓ MOL2 SDF SMILES Flexibase

54858528

Analogs

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Popular Name: 4-[(1-methyltriazol-4-yl)methylamino]benzamide 4-[(1-methyltriazol-4-yl)methyla…

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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)	0.17	0.41	-16.17	3	6	0	86	231.259	4	↓ MOL2 SDF SMILES Flexibase

54858532

Analogs

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Popular Name: 3,4-diethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline 3,4-diethoxy-N-[(1-methyltriazol…

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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	4.63	-13.66	1	6	0	61	276.34	7	↓ MOL2 SDF SMILES Flexibase

54858535

Analogs

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Popular Name: 4-isopropyl-N-[(1-methyltriazol-4-yl)methyl]aniline 4-isopropyl-N-[(1-methyltriazol-…

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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)	2.86	5.52	-9.59	1	4	0	43	230.315	4	↓ MOL2 SDF SMILES Flexibase

54858536

Analogs

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Popular Name: N-[(1-methyltriazol-4-yl)methyl]-4-(trifluoromethoxy)aniline N-[(1-methyltriazol-4-yl)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)	2.32	3.38	-10.46	1	5	0	52	272.23	5	↓ MOL2 SDF SMILES Flexibase

54858549

Analogs

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Popular Name: N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline N-[(1-methyltriazol-4-yl)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)	2.27	3.51	-10.97	1	5	0	52	272.23	5	↓ MOL2 SDF SMILES Flexibase

54858553

Analogs

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Popular Name: 3,4-dichloro-N-[(1-methyltriazol-4-yl)methyl]aniline 3,4-dichloro-N-[(1-methyltriazol…

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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	4.57	-10.76	1	4	0	43	257.124	3	↓ MOL2 SDF SMILES Flexibase

54858559

Analogs

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Popular Name: 5-chloro-2-methoxy-N-[(1-methyltriazol-4-yl)methyl]aniline 5-chloro-2-methoxy-N-[(1-methylt…

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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)	2.01	3.52	-10.76	1	5	0	52	252.705	4	↓ MOL2 SDF SMILES Flexibase

54858561

Analogs

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Popular Name: 2-methoxy-5-methyl-N-[(1-methyltriazol-4-yl)methyl]aniline 2-methoxy-5-methyl-N-[(1-methylt…

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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	3.68	-11.39	1	5	0	52	232.287	4	↓ MOL2 SDF SMILES Flexibase

54858572

Analogs

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Popular Name: 4-[(1-methyltriazol-4-yl)methylamino]benzenesulfonamide 4-[(1-methyltriazol-4-yl)methyla…

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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)	0.04	-1.44	-17.89	3	7	0	103	267.314	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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