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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20674634
20674634
20674637
20674637
20674640
20674640
20674643
20674643

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

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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) 4.48 13.9 -14.63 1 7 0 74 496.611 8 ↓
Mid Mid (pH 6-8) 4.48 16.18 -47.15 2 7 1 75 497.619 8 ↓
Mid Mid (pH 6-8) 4.48 13.1 -44.01 0 7 -1 76 495.603 8 ↓

Analogs

20674634
20674634
20674637
20674637
20674640
20674640
20674643
20674643

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 4.48 14.27 -16.71 1 7 0 74 496.611 8 ↓
Mid Mid (pH 6-8) 4.48 16.66 -45.32 2 7 1 75 497.619 8 ↓
Mid Mid (pH 6-8) 4.48 14.62 -47.23 0 7 -1 76 495.603 8 ↓

Analogs

20674634
20674634
20674637
20674637
20674640
20674640
20674643
20674643

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 4.48 14.09 -16.63 1 7 0 74 496.611 8 ↓
Mid Mid (pH 6-8) 4.48 16.6 -45.16 2 7 1 75 497.619 8 ↓
Mid Mid (pH 6-8) 4.48 14.42 -46.54 0 7 -1 76 495.603 8 ↓

Analogs

20674634
20674634
20674637
20674637
20674640
20674640
20674643
20674643

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 4.48 13.88 -14.67 1 7 0 74 496.611 8 ↓
Mid Mid (pH 6-8) 4.48 16.18 -47.46 2 7 1 75 497.619 8 ↓
Mid Mid (pH 6-8) 4.48 13.1 -44.29 0 7 -1 76 495.603 8 ↓

Parameters Provided:

ring.id = 123039
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 = 123039 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=123039&filter.purchasability=annotated

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