UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38730506
38730506
38712469
38712469
38712470
38712470
9328190
9328190

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

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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) 3.31 9.71 -12.02 0 6 0 76 389.436 3 ↓
Lo Low (pH 4.5-6) 3.31 10.12 -32.37 1 6 1 78 390.444 3 ↓

Analogs

38712469
38712469
38712470
38712470
38730502
38730502
9328190
9328190

Draw Identity 99% 90% 80% 70%

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

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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) 3.31 9.38 -13.15 0 6 0 76 389.436 3 ↓
Lo Low (pH 4.5-6) 3.31 10.13 -32.71 1 6 1 78 390.444 3 ↓

Analogs

38730747
38730747
38712480
38712480
38712482
38712482
38718255
38718255
38718258
38718258

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

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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) 3.75 11.05 -12.39 0 6 0 76 417.49 3 ↓
Lo Low (pH 4.5-6) 3.75 11.48 -32.18 1 6 1 78 418.498 3 ↓

Analogs

38712480
38712480
38712482
38712482
38718255
38718255
38718258
38718258
38730745
38730745

Draw Identity 99% 90% 80% 70%

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

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) 3.75 10.72 -13.74 0 6 0 76 417.49 3 ↓
Lo Low (pH 4.5-6) 3.75 11.47 -32.53 1 6 1 78 418.498 3 ↓

Parameters Provided:

ring.id = 597722
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 = 597722 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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