UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38730989
38730989
38712571
38712571
38712572
38712572
6614903
6614903
6614907
6614907

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Popular Name: (1R)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(4-pyridyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-7-ethyl-2-(5-methyl-1,3,4-t…

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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) 2.57 9.78 -12.43 0 7 0 89 404.451 3 ↓

Analogs

38712571
38712571
38712572
38712572
38730986
38730986
6614903
6614903

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(4-pyridyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-7-ethyl-2-(5-methyl-1,3,4-t…

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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) 2.57 9.78 -12.31 0 7 0 89 404.451 3 ↓

Analogs

38731177
38731177
38712565
38712565
38712566
38712566
38712578
38712578
38712579
38712579

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-pyridyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-7-ethyl-2-(5-ethyl-1,3,4-th…

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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) 3.14 10.54 -11.81 0 7 0 89 418.478 4 ↓

Analogs

38712565
38712565
38712566
38712566
38712578
38712578
38712579
38712579
38731172
38731172

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-pyridyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-7-ethyl-2-(5-ethyl-1,3,4-th…

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) 3.14 10.55 -11.64 0 7 0 89 418.478 4 ↓

Parameters Provided:

ring.id = 597880
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 = 597880 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=597880&filter.purchasability=annotated

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