UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15938278
15938278
15938280
15938280
15938282
15938282
33850599
33850599
33850600
33850600

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl diethyl

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.42 11.73 -15.18 2 10 0 143 483.521 10 ↓

Analogs

15938280
15938280
15938282
15938282
33850599
33850599
33850600
33850600
36043162
36043162

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl diethyl

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) 6.42 11.81 -22.52 2 10 0 143 483.521 10 ↓

Analogs

15938282
15938282
33850600
33850600
15938276
15938276
15938278
15938278

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl diethyl

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) 6.42 11.32 -14.09 2 10 0 143 483.521 10 ↓

Analogs

33850599
33850599
33850600
33850600
36043162
36043162
36043165
36043165
15938276
15938276

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl diethyl

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) 6.42 11.64 -22.93 2 10 0 143 483.521 10 ↓

Parameters Provided:

ring.id = 255070
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 = 255070 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=255070&filter.purchasability=annotated

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