UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43964947
43964947
25172663
25172663
35162803
35162803
35162804
35162804

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,7aR)-1-[2-(4-oxothiazolidin-3-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2R,3aS,7aR)-1-[2-(4-oxothiazoli…

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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) -0.03 6.87 -54.77 0 6 -1 81 311.383 3 ↓

Analogs

43964947
43964947
25172663
25172663
35162803
35162803
35162804
35162804

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,7aS)-1-[2-(4-oxothiazolidin-3-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2R,3aS,7aS)-1-[2-(4-oxothiazoli…

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) -0.03 7.04 -55.38 0 6 -1 81 311.383 3 ↓

Analogs

43964947
43964947
25172663
25172663
35162803
35162803
35162804
35162804

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aR,7aR)-1-[2-(4-oxothiazolidin-3-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2R,3aR,7aR)-1-[2-(4-oxothiazoli…

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) -0.03 6.89 -53.49 0 6 -1 81 311.383 3 ↓

Analogs

43964947
43964947
25172663
25172663
35162803
35162803
35162804
35162804

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aR,7aS)-1-[2-(4-oxothiazolidin-3-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2R,3aR,7aS)-1-[2-(4-oxothiazoli…

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) -0.03 7.06 -56.66 0 6 -1 81 311.383 3 ↓

Parameters Provided:

ring.id = 129856
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 = 129856 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=129856&filter.purchasability=annotated

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