UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[2-(5,6-dihydro-4H-cyclopenta[d]thiophene-2-carbonylamino)thiazol-4-yl]acetic 2-[2-(5,6-dihydro-4H-cyclopenta[…

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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) 2.10 7.18 -52.53 1 5 -1 82 307.376 4 ↓
Hi High (pH 8-9.5) 2.17 5.26 -114.76 0 5 -2 88 306.368 4 ↓

Analogs

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Popular Name: N-(4,5-dimethylthiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide N-(4,5-dimethylthiazol-2-yl)-5,6…

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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) 2.88 7.41 -13.62 1 3 0 42 278.402 2 ↓
Hi High (pH 8-9.5) 2.95 5.74 -50.88 0 3 -1 48 277.394 2 ↓

Analogs

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Popular Name: N-[4-(chloromethyl)thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide N-[4-(chloromethyl)thiazol-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) 3.25 6.93 -8.08 1 3 0 42 298.82 3 ↓
Hi High (pH 8-9.5) 3.32 5.27 -42.93 0 3 -1 48 297.812 3 ↓

Parameters Provided:

ring.id = 134332
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 = 134332 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=134332&filter.purchasability=annotated

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