ZINC 12

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)	4.03	10.81	-9.77	1	5	0	58	340.471	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.03	11.13	-28.37	2	5	1	59	341.479	8	↓ MOL2 SDF SMILES Flexibase

51169118

Analogs

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Popular Name: [2-(4-isopropoxyphenyl)pyrimidin-4-yl]hydrazine [2-(4-isopropoxyphenyl)pyrimidin…

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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	5.3	-8.63	3	5	0	73	244.298	4	↓ MOL2 SDF SMILES Flexibase

51169120

Analogs

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Popular Name: [2-(4-methoxy-3-methyl-phenyl)pyrimidin-4-yl]hydrazine [2-(4-methoxy-3-methyl-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)	1.93	4.5	-9.07	3	5	0	73	230.271	3	↓ MOL2 SDF SMILES Flexibase

51169126

Analogs

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Popular Name: [2-(3-bromo-4-methoxy-phenyl)pyrimidin-4-yl]hydrazine [2-(3-bromo-4-methoxy-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)	2.29	4.42	-9.31	3	5	0	73	295.14	3	↓ MOL2 SDF SMILES Flexibase

51169127

Analogs

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Popular Name: [2-(3-isopropoxyphenyl)pyrimidin-4-yl]hydrazine [2-(3-isopropoxyphenyl)pyrimidin…

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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	5.32	-9.09	3	5	0	73	244.298	4	↓ MOL2 SDF SMILES Flexibase

51169129

Analogs

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Popular Name: [2-(2,3-dimethylphenyl)pyrimidin-4-yl]hydrazine [2-(2,3-dimethylphenyl)pyrimidin…

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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	5.3	-8.89	3	4	0	64	214.272	2	↓ MOL2 SDF SMILES Flexibase

51169130

Analogs

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Popular Name: [2-(3,5-dimethylphenyl)pyrimidin-4-yl]hydrazine [2-(3,5-dimethylphenyl)pyrimidin…

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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	5.79	-8.78	3	4	0	64	214.272	2	↓ MOL2 SDF SMILES Flexibase

51169132

Analogs

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Popular Name: [2-(4-chloro-3-fluoro-phenyl)pyrimidin-4-yl]hydrazine [2-(4-chloro-3-fluoro-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)	2.26	5.02	-7.73	3	4	0	64	238.653	2	↓ MOL2 SDF SMILES Flexibase

51169133

Analogs

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Popular Name: 2-chloro-4-(4-hydrazinopyrimidin-2-yl)phenol 2-chloro-4-(4-hydrazinopyrimidin…

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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)	1.42	3.47	-41.39	4	5	0	84	236.662	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.88	2.93	-45.23	3	5	-1	87	235.654	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.42	3.84	-86.57	5	5	1	85	237.67	1	↓ MOL2 SDF SMILES Flexibase

51169136

Analogs

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Popular Name: [2-(2,5-dimethylphenyl)pyrimidin-4-yl]hydrazine [2-(2,5-dimethylphenyl)pyrimidin…

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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	5.41	-8.9	3	4	0	64	214.272	2	↓ MOL2 SDF SMILES Flexibase

51169137

Analogs

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Popular Name: [2-(2-bromo-4,5-dimethoxy-phenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(2-bromo-4,5-dimethoxy-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.69	6.01	-10.44	3	6	0	82	353.22	4	↓ MOL2 SDF SMILES Flexibase

51169139

Analogs

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Popular Name: [2-(5-bromo-2-methoxy-phenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(5-bromo-2-methoxy-phenyl)-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)	3.10	6.06	-10.03	3	5	0	73	323.194	3	↓ MOL2 SDF SMILES Flexibase

51169141

Analogs

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Popular Name: 4-(4-hydrazino-5,6-dimethyl-pyrimidin-2-yl)-N,N-dimethyl-aniline 4-(4-hydrazino-5,6-dimethyl-pyri…

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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)	2.41	6.06	-9.89	3	5	0	67	257.341	3	↓ MOL2 SDF SMILES Flexibase

51169147

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,5-dimethoxyphenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(3,5-dimethoxyphenyl)-5,6-dim…

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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	4.26	-11.83	3	6	0	82	274.324	4	↓ MOL2 SDF SMILES Flexibase

51169150

Analogs

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Popular Name: [2-[4-(difluoromethoxy)phenyl]-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-[4-(difluoromethoxy)phenyl]-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)	2.92	5.23	-11.02	3	5	0	73	280.278	4	↓ MOL2 SDF SMILES Flexibase

51169152

Analogs

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Popular Name: [5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine [5,6-dimethyl-2-[2-(trifluoromet…

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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	7.64	-10.51	3	4	0	64	282.269	3	↓ MOL2 SDF SMILES Flexibase

51169154

Analogs

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Popular Name: 5-(4-hydrazino-5,6-dimethyl-pyrimidin-2-yl)-2-methoxy-phenol 5-(4-hydrazino-5,6-dimethyl-pyri…

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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)	1.65	2.8	-11.25	4	6	0	93	260.297	3	↓ MOL2 SDF SMILES Flexibase

51169157

Analogs

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Popular Name: [2-(2,4-dimethylphenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(2,4-dimethylphenyl)-5,6-dime…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.14	6.63	-9.49	3	4	0	64	242.326	2	↓ MOL2 SDF SMILES Flexibase

51169159

Analogs

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Popular Name: 4-(4-hydrazino-5,6-dimethyl-pyrimidin-2-yl)-2-methoxy-phenol 4-(4-hydrazino-5,6-dimethyl-pyri…

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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)	1.65	2.81	-11.07	4	6	0	93	260.297	3	↓ MOL2 SDF SMILES Flexibase

51169160

Analogs

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Popular Name: [2-(2,3-dimethoxyphenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(2,3-dimethoxyphenyl)-5,6-dim…

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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	5.6	-11.55	3	6	0	82	274.324	4	↓ MOL2 SDF SMILES Flexibase

51169161

Analogs

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Popular Name: [2-(2,5-dimethoxyphenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(2,5-dimethoxyphenyl)-5,6-dim…

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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	4.73	-12.4	3	6	0	82	274.324	4	↓ MOL2 SDF SMILES Flexibase

51169163

Analogs

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Popular Name: [2-(2,4-dichlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(2,4-dichlorophenyl)-5,6-dime…

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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)	3.59	7.11	-7.39	3	4	0	64	283.162	2	↓ MOL2 SDF SMILES Flexibase

51169164

Analogs

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Popular Name: [5,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]hydrazine [5,6-dimethyl-2-(4-methylsulfany…

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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	6.66	-9.03	3	4	0	64	260.366	3	↓ MOL2 SDF SMILES Flexibase

51169166

Analogs

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Popular Name: [2-(2,4-dimethoxyphenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(2,4-dimethoxyphenyl)-5,6-dim…

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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	4.75	-11.12	3	6	0	82	274.324	4	↓ MOL2 SDF SMILES Flexibase

51169167

Analogs

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Popular Name: [5,6-dimethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine [5,6-dimethyl-2-[4-(trifluoromet…

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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)	3.21	6.67	-7.7	3	4	0	64	282.269	3	↓ MOL2 SDF SMILES Flexibase

51169168

Analogs

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Popular Name: [2-(2,3-dichlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(2,3-dichlorophenyl)-5,6-dime…

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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)	3.57	7.07	-9.12	3	4	0	64	283.162	2	↓ MOL2 SDF SMILES Flexibase

51169170

Analogs

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Popular Name: [2-(3,4-dichlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(3,4-dichlorophenyl)-5,6-dime…

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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)	3.59	6.62	-7.53	3	4	0	64	283.162	2	↓ MOL2 SDF SMILES Flexibase

51169174

Analogs

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Popular Name: [2-(4-tert-butylphenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(4-tert-butylphenyl)-5,6-dime…

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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)	4.02	7.99	-8.64	3	4	0	64	270.38	3	↓ MOL2 SDF SMILES Flexibase

51169176

Analogs

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Popular Name: [2-(2-ethoxyphenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(2-ethoxyphenyl)-5,6-dimethyl…

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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)	2.69	6.37	-10.67	3	5	0	73	258.325	4	↓ MOL2 SDF SMILES Flexibase

51169178

Analogs

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Popular Name: [2-(4-ethoxyphenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(4-ethoxyphenyl)-5,6-dimethyl…

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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	5.87	-9.25	3	5	0	73	258.325	4	↓ MOL2 SDF SMILES Flexibase

51169182

Analogs

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Popular Name: [2-[2-(difluoromethoxy)phenyl]-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-[2-(difluoromethoxy)phenyl]-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)	2.88	5.71	-11.59	3	5	0	73	280.278	4	↓ MOL2 SDF SMILES Flexibase

51169183

Analogs

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Popular Name: [5,6-dimethyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine [5,6-dimethyl-2-[4-(trifluoromet…

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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)	3.28	5.44	-7.56	3	5	0	73	298.268	4	↓ MOL2 SDF SMILES Flexibase

51169186

Analogs

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Popular Name: [5,6-dimethyl-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]hydrazine [5,6-dimethyl-2-[4-(trifluoromet…

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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)	6.29	7.14	-7.69	3	4	0	64	314.336	4	↓ MOL2 SDF SMILES Flexibase

51169188

Analogs

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Popular Name: [5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine [5,6-dimethyl-2-[2-(trifluoromet…

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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)	3.23	5.94	-9.64	3	5	0	73	298.268	4	↓ MOL2 SDF SMILES Flexibase

51169191

Analogs

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Popular Name: [5,6-dimethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]hydrazine [5,6-dimethyl-2-(2,4,6-trimethyl…

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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)	3.51	7.31	-9.01	3	4	0	64	256.353	2	↓ MOL2 SDF SMILES Flexibase

51169198

Analogs

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Popular Name: 3-(4-hydrazino-5,6-dimethyl-pyrimidin-2-yl)phenol 3-(4-hydrazino-5,6-dimethyl-pyri…

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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	2.8	-10.68	4	5	0	84	230.271	2	↓ MOL2 SDF SMILES Flexibase

51169199

Analogs

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Popular Name: [2-(2,6-dichlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(2,6-dichlorophenyl)-5,6-dime…

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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)	3.57	7.54	-9.44	3	4	0	64	283.162	2	↓ MOL2 SDF SMILES Flexibase

51169221

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Popular Name: [2-(3,4-dimethylphenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(3,4-dimethylphenyl)-5,6-dime…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.14	6.88	-9.49	3	4	0	64	242.326	2	↓ MOL2 SDF SMILES Flexibase

51169223

Analogs

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Popular Name: [2-(3,5-dichlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(3,5-dichlorophenyl)-5,6-dime…

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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)	3.59	6.67	-6.89	3	4	0	64	283.162	2	↓ MOL2 SDF SMILES Flexibase

51169228

Analogs

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Popular Name: [2-(4-isopropoxyphenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(4-isopropoxyphenyl)-5,6-dime…

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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)	3.11	6.5	-9.17	3	5	0	73	272.352	4	↓ MOL2 SDF SMILES Flexibase

51169229

Analogs

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Popular Name: [2-(4-methoxy-3-methyl-phenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(4-methoxy-3-methyl-phenyl)-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)	2.74	5.7	-9.64	3	5	0	73	258.325	3	↓ MOL2 SDF SMILES Flexibase

51169236

Analogs

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Popular Name: [2-(3-bromo-4-methoxy-phenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(3-bromo-4-methoxy-phenyl)-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)	3.10	5.62	-9.66	3	5	0	73	323.194	3	↓ MOL2 SDF SMILES Flexibase

51169237

Analogs

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Popular Name: [2-(3-isopropoxyphenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(3-isopropoxyphenyl)-5,6-dime…

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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	6.5	-10.6	3	5	0	73	272.352	4	↓ MOL2 SDF SMILES Flexibase

51169239

Analogs

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Popular Name: [2-(2,3-dimethylphenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(2,3-dimethylphenyl)-5,6-dime…

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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)	3.11	6.5	-9.6	3	4	0	64	242.326	2	↓ MOL2 SDF SMILES Flexibase

51169241

Analogs

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Popular Name: [2-(3,5-dimethylphenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(3,5-dimethylphenyl)-5,6-dime…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.14	6.98	-9.42	3	4	0	64	242.326	2	↓ MOL2 SDF SMILES Flexibase

51169242

Analogs

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Popular Name: [2-(4-chloro-3-fluoro-phenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(4-chloro-3-fluoro-phenyl)-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)	3.08	6.21	-7.94	3	4	0	64	266.707	2	↓ MOL2 SDF SMILES Flexibase

51169246

Analogs

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Popular Name: [2-(2,5-dimethylphenyl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(2,5-dimethylphenyl)-5,6-dime…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.14	6.61	-9.49	3	4	0	64	242.326	2	↓ MOL2 SDF SMILES Flexibase

35635894

Analogs

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Popular Name: 4-(4-Methoxypyrimidin-2-yl)benzaldehyde 4-(4-Methoxypyrimidin-2-yl)benza…

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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)	2.10	4.09	-10.09	0	4	0	52	214.224	3	↓ MOL2 SDF SMILES Flexibase

35643408

Analogs

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Popular Name: 4-[ethyl(methyl)amino]-N-isobutyl-2-phenyl-pyrimidine-5-carboxamide 4-[ethyl(methyl)amino]-N-isobuty…

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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)	3.03	9.53	-8.64	1	5	0	58	312.417	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 6756
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 = 6756 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=6756&filter.purchasability=annotated

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">
    window.zinc.embed('zinc-link', {
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