UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-(2,3-dimethoxyphenyl)thiazolidin-3-yl]-phenyl-methanone [2-(2,3-dimethoxyphenyl)thiazoli…

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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) 2.68 8.07 -8.49 0 4 0 39 329.421 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2,3-dimethoxyphenyl)thiazolidin-3-yl]-phenyl-methanone [2-(2,3-dimethoxyphenyl)thiazoli…

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) 2.68 8.07 -9.68 0 4 0 39 329.421 4 ↓

Analogs

5660350
5660350
5660354
5660354
5660415
5660415
5660418
5660418
35690655
35690655

Draw Identity 99% 90% 80% 70%

Popular Name: isobutyl isobutyl

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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) 4.75 2.52 -10.58 0 4 0 46 397.54 7 ↓

Analogs

5660350
5660350
5660354
5660354
5660415
5660415
5660418
5660418
35690655
35690655

Draw Identity 99% 90% 80% 70%

Popular Name: isobutyl isobutyl

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) 4.75 2.64 -12.61 0 4 0 46 397.54 7 ↓

Analogs

5660350
5660350
5660354
5660354
5660415
5660415
5660418
5660418
35690655
35690655

Draw Identity 99% 90% 80% 70%

Popular Name: isobutyl isobutyl

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) 4.75 2.62 -12.08 0 4 0 46 397.54 7 ↓

Analogs

5660350
5660350
5660354
5660354
5660415
5660415
5660418
5660418
35690655
35690655

Draw Identity 99% 90% 80% 70%

Popular Name: isobutyl isobutyl

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) 4.75 2.4 -11.12 0 4 0 46 397.54 7 ↓

Parameters Provided:

ring.id = 3560
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 = 3560 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=3560&filter.purchasability=annotated

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