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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 (3)
Analogs (7)

ZINC37076491

37076491

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
November 20^th, 2009	18	Yes

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

SMILES:

Download: MOL2 SDF SMILES Flexibase

Annotations

PubChem
- 43724998

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)	3.31	8.16	-30.33	2	3	1	43	268.402	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.31	7.06	-3.47	1	3	0	38	267.394	6	↓ MOL2 SDF SMILES Flexibase

Activity (Go SEA)

Rings

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

Zinc Item 48252978

Zinc Item 48252978

Analogs

42167402
42167404

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)	3.05	8.71	-11.15	1	4	0	55	309.431	8	↓ MOL2 SDF SMILES Flexibase

More about ZINC48252978

Zinc Item 48252979

Zinc Item 48252979

Analogs

42167402
42167404

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)	3.05	8.71	-11.11	1	4	0	55	309.431	8	↓ MOL2 SDF SMILES Flexibase

More about ZINC48252979

Zinc Item 48412149

Zinc Item 48412149

Analogs

42167402
42167404

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 47141724

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)	2.78	7.95	-10.94	1	4	0	55	295.404	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC48412149

Zinc Item 48412150

Zinc Item 48412150

Analogs

42167402
42167404

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 47141724

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)	2.78	7.92	-10.9	1	4	0	55	295.404	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC48412150

Zinc Item 5325666

Zinc Item 5325666

Analogs

5325691
37076253
37076254
37076255
37076256

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

Vendors

Florida Heterocyclic Compounds
- 15613

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)	3.18	0.94	-32.39	2	3	1	42	290.408	8	↓ MOL2 SDF SMILES Flexibase

More about ZINC05325666

Zinc Item 5325691

Zinc Item 5325691

Analogs

37076253
37076254
37076255
37076256
37076261

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

Vendors

Florida Heterocyclic Compounds
- 15613

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)	3.18	0.94	-32.36	2	3	1	42	290.408	8	↓ MOL2 SDF SMILES Flexibase

More about ZINC05325691

Zinc Item 22502384

Zinc Item 22502384

Analogs

37008314
37008315
37008322
37008323
37008324

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 45775151
- 30371784

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)	2.70	7.16	-11.04	1	4	0	55	283.393	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC22502384

Synonyms (0)
Vendors (2)
Annotations (1)
Representations (2)
Notes (0)
Targets (0)
Clustered (0)
Reactome (0)
Rings (3)
Analogs (7)