UCSF
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Analogs

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Popular Name: (1S,2R)-2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)cyclopropanecarboxylic (1S,2R)-2-(5,6-dihydro-4H-cyclop…

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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) 1.49 6.08 -61.34 1 5 -1 82 251.287 3 ↓
Lo Low (pH 4.5-6) 1.49 4.14 -21.37 2 5 0 79 252.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)cyclopropanecarboxylic (1S,2S)-2-(5,6-dihydro-4H-cyclop…

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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) 1.49 6.16 -54.74 1 5 -1 82 251.287 3 ↓
Lo Low (pH 4.5-6) 1.49 4.17 -15.68 2 5 0 79 252.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)cyclopropanecarboxylic (1R,2R)-2-(5,6-dihydro-4H-cyclop…

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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) 1.49 6.17 -55.04 1 5 -1 82 251.287 3 ↓
Lo Low (pH 4.5-6) 1.49 4.17 -15.68 2 5 0 79 252.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)cyclopropanecarboxylic (1R,2S)-2-(5,6-dihydro-4H-cyclop…

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) 1.49 6.09 -61.96 1 5 -1 82 251.287 3 ↓
Lo Low (pH 4.5-6) 1.49 4.14 -21.32 2 5 0 79 252.295 3 ↓

Parameters Provided:

ring.id = 582360
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 = 582360 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=582360&filter.purchasability=annotated

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