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Quick Search ZINC ID or SMILES

Synonyms (0)
Vendors (2)
Annotations (1)
Representations (2)
Notes (0)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (7)

ZINC43708977

43708977

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
May 17^th, 2010	20	Yes

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

SMILES:

Download: MOL2 SDF SMILES Flexibase

Annotations

PubChem
- 61736723

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)	-0.01	4.24	-55.78	3	6	1	81	299.372	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.01	2.88	-14.33	2	6	0	77	298.364	6	↓ MOL2 SDF SMILES Flexibase

Activity (Go SEA)

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

Zinc Item 48412133

Zinc Item 48412133

Analogs

43708977
43708978

Popular Name: methyl methyl

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)	0.71	4.67	-14.51	1	5	0	65	257.311	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC48412133

Zinc Item 48412134

Zinc Item 48412134

Analogs

37076641
37076642

Popular Name: methyl methyl

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)	0.71	4.67	-14.52	1	5	0	65	257.311	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC48412134

Zinc Item 48641800

Zinc Item 48641800

Analogs

43708977
43708978

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 47303524

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)	1.07	5.37	-14.41	1	5	0	65	271.338	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC48641800

Zinc Item 48641802

Zinc Item 48641802

Analogs

43708977
43708978

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 47303524

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)	1.07	5.37	-14.36	1	5	0	65	271.338	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC48641802

Zinc Item 48641804

Zinc Item 48641804

Analogs

43708977
43708978

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 47303524

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)	1.07	5.37	-14.35	1	5	0	65	271.338	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC48641804

Zinc Item 48641806

Zinc Item 48641806

Analogs

43708977
43708978

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 47303524

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)	1.07	5.38	-14.42	1	5	0	65	271.338	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC48641806

Zinc Item 30708741

Zinc Item 30708741

Analogs

30708745
30708749
43708977
43708978
43708979

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 47178568

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)	0.35	4.67	-16.16	1	6	0	74	299.348	6	↓ MOL2 SDF SMILES Flexibase

More about ZINC30708741

Synonyms (0)
Vendors (2)
Annotations (1)
Representations (2)
Notes (0)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (7)