UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyloxetan-3-yl)methyl (3-methyloxetan-3-yl)methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 7.72 -6.6 0 3 0 36 246.306 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyloxetan-3-yl)methyl (3-methyloxetan-3-yl)methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.47 7.1 -7.57 0 4 0 45 296.75 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyloxetan-3-yl)methyl (3-methyloxetan-3-yl)methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.03 5.81 -8.06 0 5 0 54 292.331 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyloxetan-3-yl)methyl (3-methyloxetan-3-yl)methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.32 8.83 -8.47 0 5 0 54 354.83 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyloxetan-3-yl)methyl (3-methyloxetan-3-yl)methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 7.72 -7.7 0 3 0 36 311.175 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyloxetan-3-yl)methyl (3-methyloxetan-3-yl)methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.41 7.87 -6.19 0 3 0 36 246.306 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyloxetan-3-yl)methyl (3-methyloxetan-3-yl)methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.42 7.43 -7.27 0 4 0 45 276.332 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyloxetan-3-yl)methyl (3-methyloxetan-3-yl)methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.04 8.32 -6.27 0 3 0 36 280.751 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyloxetan-3-yl)methyl (3-methyloxetan-3-yl)methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 7.97 -9.62 0 5 0 54 320.385 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyloxetan-3-yl)methyl (3-methyloxetan-3-yl)methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 8.26 -9.6 0 5 0 54 320.385 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyloxetan-3-yl)methyl (3-methyloxetan-3-yl)methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.75 8.82 -9.34 0 5 0 54 334.412 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyloxetan-3-yl)methyl (3-methyloxetan-3-yl)methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.81 8.02 -8.6 0 5 0 54 340.803 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyloxetan-3-yl)methyl (3-methyloxetan-3-yl)methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 7.2 -7.47 0 4 0 45 341.201 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyloxetan-3-yl)methyl (3-methyloxetan-3-yl)methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.71 7.87 -6.56 0 3 0 36 329.165 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyloxetan-3-yl)methyl (3-methyloxetan-3-yl)methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.44 7.07 -8.7 0 5 0 54 326.776 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyloxetan-3-yl)methyl (3-methyloxetan-3-yl)methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.81 8 -8.47 0 5 0 54 340.803 8 ↓

Parameters Provided:

ring.id = 303051
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 = 303051 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=303051&filter.purchasability=annotated

Embed Link to Results