ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

49914399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-bromophenyl)-5-methyl-2-sulfanyl-pyridine-3-carbonitrile 6-(4-bromophenyl)-5-methyl-2-sul…

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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)	4.21	8.15	-47.89	0	2	-1	37	304.192	1	↓ MOL2 SDF SMILES Flexibase

9422293

Analogs

39858444
39858446
3637015
6293511

Draw Identity 99% 90% 80% 70%

Popular Name: 2-allylsulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile 2-allylsulfanyl-6-phenyl-4-(trif…

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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)	4.70	10.13	-6.25	0	2	0	37	320.339	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.70	10.29	-34.76	1	2	1	38	321.347	5	↓ MOL2 SDF SMILES Flexibase

61703069

Analogs

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Popular Name: 6-[3-(trifluoromethoxy)phenyl]pyridin-2-amine 6-[3-(trifluoromethoxy)phenyl]py…

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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)	3.36	4.9	-7.04	2	3	0	48	254.211	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.36	5.26	-31.19	3	3	1	49	255.219	3	↓ MOL2 SDF SMILES Flexibase

34561002

Analogs

15441409

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Popular Name: 2-(3-ethynylphenyl)pyridine 2-(3-ethynylphenyl)pyridine

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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)	2.33	7.57	-8.66	0	1	0	13	179.222	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.33	7.91	-32.79	1	1	1	14	180.23	1	↓ MOL2 SDF SMILES Flexibase

51170377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,4-dichloro-5-fluoro-phenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(2,4-dichloro-5-fluoro-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)	3.25	6.9	-7.33	3	4	0	75	297.12	2	↓ MOL2 SDF SMILES Flexibase

51170382

Analogs

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Popular Name: 2-hydrazino-6-(m-tolyl)pyridine-3-carbonitrile 2-hydrazino-6-(m-tolyl)pyridine-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.30	6.06	-7.51	3	4	0	75	224.267	2	↓ MOL2 SDF SMILES Flexibase

51170395

Analogs

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Popular Name: 6-(4-dimethylaminophenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(4-dimethylaminophenyl)-2-hydr…

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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)	1.98	5.8	-8.2	3	5	0	78	253.309	3	↓ MOL2 SDF SMILES Flexibase

51170405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-2-hydrazino-6-phenyl-pyridine-3-carbonitrile 5-ethyl-2-hydrazino-6-phenyl-pyr…

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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	6.4	-6.42	3	4	0	75	238.294	3	↓ MOL2 SDF SMILES Flexibase

51170406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydrazino-6-(o-tolyl)pyridine-3-carbonitrile 2-hydrazino-6-(o-tolyl)pyridine-…

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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)	2.28	6.15	-6.74	3	4	0	75	224.267	2	↓ MOL2 SDF SMILES Flexibase

51170409

Analogs

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Popular Name: 2-hydrazino-6-(2-nitrophenyl)pyridine-3-carbonitrile 2-hydrazino-6-(2-nitrophenyl)pyr…

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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)	1.79	6.21	-14.95	3	7	0	121	255.237	3	↓ MOL2 SDF SMILES Flexibase

51170416

Analogs

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Popular Name: 6-(4-ethylphenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(4-ethylphenyl)-2-hydrazino-py…

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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	6.84	-7.17	3	4	0	75	238.294	3	↓ MOL2 SDF SMILES Flexibase

51170420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydrazino-6-(4-nitrophenyl)pyridine-3-carbonitrile 2-hydrazino-6-(4-nitrophenyl)pyr…

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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)	1.84	6.11	-11.41	3	7	0	121	255.237	3	↓ MOL2 SDF SMILES Flexibase

51170422

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-chlorophenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(4-chlorophenyl)-2-hydrazino-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)	2.56	5.92	-7.42	3	4	0	75	244.685	2	↓ MOL2 SDF SMILES Flexibase

51170425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,6-difluorophenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(2,6-difluorophenyl)-2-hydrazi…

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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)	2.11	5.47	-8.83	3	4	0	75	246.22	2	↓ MOL2 SDF SMILES Flexibase

51170427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydrazino-6-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile 2-hydrazino-6-[2-(trifluoromethy…

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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)	2.73	7.37	-10.53	3	4	0	75	278.237	3	↓ MOL2 SDF SMILES Flexibase

51170429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-fluorophenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(2-fluorophenyl)-2-hydrazino-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)	1.99	5.65	-10.22	3	4	0	75	228.23	2	↓ MOL2 SDF SMILES Flexibase

51170433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,4-difluorophenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(3,4-difluorophenyl)-2-hydrazi…

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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)	2.13	5.52	-8.02	3	4	0	75	246.22	2	↓ MOL2 SDF SMILES Flexibase

51170435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,4-difluorophenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(2,4-difluorophenyl)-2-hydrazi…

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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)	2.13	5.72	-10.15	3	4	0	75	246.22	2	↓ MOL2 SDF SMILES Flexibase

51170438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydrazino-6-(2-methoxy-5-methyl-phenyl)pyridine-3-carbonitrile 2-hydrazino-6-(2-methoxy-5-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)	2.31	5.83	-8.74	3	5	0	84	254.293	3	↓ MOL2 SDF SMILES Flexibase

51170441

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydrazino-6-(4-propoxyphenyl)pyridine-3-carbonitrile 2-hydrazino-6-(4-propoxyphenyl)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)	2.81	6.42	-7.95	3	5	0	84	268.32	5	↓ MOL2 SDF SMILES Flexibase

51170447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,4-dichlorophenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(2,4-dichlorophenyl)-2-hydrazi…

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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)	3.16	6.55	-7.85	3	4	0	75	279.13	2	↓ MOL2 SDF SMILES Flexibase

51170448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydrazino-6-(4-methyl-3-nitro-phenyl)pyridine-3-carbonitrile 2-hydrazino-6-(4-methyl-3-nitro-…

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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)	2.21	6.72	-14.74	3	7	0	121	269.264	3	↓ MOL2 SDF SMILES Flexibase

51170450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-chlorophenyl)-2-hydrazino-5-methyl-pyridine-3-carbonitrile 6-(4-chlorophenyl)-2-hydrazino-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)	2.93	6.28	-6.82	3	4	0	75	258.712	2	↓ MOL2 SDF SMILES Flexibase

51170452

Analogs

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Popular Name: 6-(4-fluorophenyl)-2-hydrazino-5-methyl-pyridine-3-carbonitrile 6-(4-fluorophenyl)-2-hydrazino-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)	2.42	5.83	-7.16	3	4	0	75	242.257	2	↓ MOL2 SDF SMILES Flexibase

51170454

Analogs

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Popular Name: 6-(4-tert-butylphenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(4-tert-butylphenyl)-2-hydrazi…

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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)	3.58	7.72	-6.94	3	4	0	75	266.348	3	↓ MOL2 SDF SMILES Flexibase

51170455

Analogs

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Popular Name: 6-(2,5-dimethoxyphenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(2,5-dimethoxyphenyl)-2-hydraz…

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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)	1.92	4.47	-9.16	3	6	0	93	270.292	4	↓ MOL2 SDF SMILES Flexibase

51170458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydrazino-6-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile 2-hydrazino-6-(2,4,6-trimethylph…

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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)	3.08	7.37	-6.79	3	4	0	75	252.321	2	↓ MOL2 SDF SMILES Flexibase

51170460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydrazino-6-(4-isobutylphenyl)pyridine-3-carbonitrile 2-hydrazino-6-(4-isobutylphenyl)…

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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)	3.18	8.08	-6.92	3	4	0	75	266.348	4	↓ MOL2 SDF SMILES Flexibase

51170461

Analogs

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Popular Name: 2-hydrazino-6-(4-methoxyphenyl)pyridine-3-carbonitrile 2-hydrazino-6-(4-methoxyphenyl)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)	1.94	4.69	-8.35	3	5	0	84	240.266	3	↓ MOL2 SDF SMILES Flexibase

51170463

Analogs

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Popular Name: 6-(4-bromophenyl)-2-hydrazino-5-methyl-pyridine-3-carbonitrile 6-(4-bromophenyl)-2-hydrazino-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)	3.06	6.38	-6.77	3	4	0	75	303.163	2	↓ MOL2 SDF SMILES Flexibase

51170464

Analogs

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Popular Name: 6-(3-chlorophenyl)-2-hydrazino-5-methyl-pyridine-3-carbonitrile 6-(3-chlorophenyl)-2-hydrazino-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)	2.91	6.27	-7.92	3	4	0	75	258.712	2	↓ MOL2 SDF SMILES Flexibase

51170466

Analogs

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Popular Name: 6-(2,4-dimethylphenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(2,4-dimethylphenyl)-2-hydrazi…

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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)	2.70	6.83	-6.71	3	4	0	75	238.294	2	↓ MOL2 SDF SMILES Flexibase

51170470

Analogs

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Popular Name: 6-(2-ethoxyphenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(2-ethoxyphenyl)-2-hydrazino-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)	2.26	6.1	-8.78	3	5	0	84	254.293	4	↓ MOL2 SDF SMILES Flexibase

51170472

Analogs

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Popular Name: 2-hydrazino-6-(4-isopropoxyphenyl)pyridine-3-carbonitrile 2-hydrazino-6-(4-isopropoxypheny…

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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)	2.67	6.25	-8.47	3	5	0	84	268.32	4	↓ MOL2 SDF SMILES Flexibase

51170479

Analogs

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Popular Name: 2-hydrazino-6-(4-methylsulfonylphenyl)pyridine-3-carbonitrile 2-hydrazino-6-(4-methylsulfonylp…

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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)	0.75	2.94	-15.95	3	6	0	109	288.332	3	↓ MOL2 SDF SMILES Flexibase

51170482

Analogs

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Popular Name: 6-(2,4-dimethoxyphenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(2,4-dimethoxyphenyl)-2-hydraz…

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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)	1.92	4.48	-10.37	3	6	0	93	270.292	4	↓ MOL2 SDF SMILES Flexibase

51170483

Analogs

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Popular Name: 2-hydrazino-5-methyl-6-phenyl-pyridine-3-carbonitrile 2-hydrazino-5-methyl-6-phenyl-py…

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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	5.76	-7.05	3	4	0	75	224.267	2	↓ MOL2 SDF SMILES Flexibase

51170485

Analogs

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Popular Name: 6-(2-chlorophenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(2-chlorophenyl)-2-hydrazino-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)	2.51	6.33	-8.59	3	4	0	75	244.685	2	↓ MOL2 SDF SMILES Flexibase

51170486

Analogs

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Popular Name: 2-hydrazino-6-(2-methoxyphenyl)pyridine-3-carbonitrile 2-hydrazino-6-(2-methoxyphenyl)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)	1.89	5.17	-9.06	3	5	0	84	240.266	3	↓ MOL2 SDF SMILES Flexibase

51170488

Analogs

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Popular Name: 6-(4-fluorophenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(4-fluorophenyl)-2-hydrazino-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)	2.04	5.46	-7.95	3	4	0	75	228.23	2	↓ MOL2 SDF SMILES Flexibase

51170490

Analogs

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Popular Name: 6-(2-bromophenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(2-bromophenyl)-2-hydrazino-py…

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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)	2.64	6.56	-8.36	3	4	0	75	289.136	2	↓ MOL2 SDF SMILES Flexibase

51170493

Analogs

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Popular Name: 6-(2,5-dimethylphenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(2,5-dimethylphenyl)-2-hydrazi…

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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)	2.70	6.83	-6.41	3	4	0	75	238.294	2	↓ MOL2 SDF SMILES Flexibase

51170495

Analogs

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Popular Name: 2-hydrazino-5-methyl-6-(p-tolyl)pyridine-3-carbonitrile 2-hydrazino-5-methyl-6-(p-tolyl)…

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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)	2.70	6.43	-7.02	3	4	0	75	238.294	2	↓ MOL2 SDF SMILES Flexibase

51170497

Analogs

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Popular Name: 2-hydrazino-6-(4-methoxyphenyl)-5-methyl-pyridine-3-carbonitrile 2-hydrazino-6-(4-methoxyphenyl)-…

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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)	2.31	5.07	-7.86	3	5	0	84	254.293	3	↓ MOL2 SDF SMILES Flexibase

51170498

Analogs

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Popular Name: 6-(4-cyanophenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(4-cyanophenyl)-2-hydrazino-py…

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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)	1.63	5.78	-10.68	3	5	0	99	235.25	2	↓ MOL2 SDF SMILES Flexibase

51170509

Analogs

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Popular Name: 6-(2,5-dichlorophenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(2,5-dichlorophenyl)-2-hydrazi…

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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)	3.16	6.85	-6.94	3	4	0	75	279.13	2	↓ MOL2 SDF SMILES Flexibase

51170510

Analogs

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Popular Name: 2-hydrazino-6-(4-propylphenyl)pyridine-3-carbonitrile 2-hydrazino-6-(4-propylphenyl)py…

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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)	3.18	7.62	-7.08	3	4	0	75	252.321	4	↓ MOL2 SDF SMILES Flexibase

51170512

Analogs

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Popular Name: 6-(2,5-difluorophenyl)-2-hydrazino-pyridine-3-carbonitrile 6-(2,5-difluorophenyl)-2-hydrazi…

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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)	2.13	5.72	-8.43	3	4	0	75	246.22	2	↓ MOL2 SDF SMILES Flexibase

51170519

Analogs

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Popular Name: 2-hydrazino-6-(3-nitrophenyl)pyridine-3-carbonitrile 2-hydrazino-6-(3-nitrophenyl)pyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.81	6.09	-14.77	3	7	0	121	255.237	3	↓ MOL2 SDF SMILES Flexibase

51170523

Analogs

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Popular Name: 2-hydrazino-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile 2-hydrazino-6-[3-(trifluoromethy…

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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)	2.75	6.39	-9.9	3	4	0	75	278.237	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 5353
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 5353 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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