UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-Thien-2-ylcyclobutanecarboxylic acid 1-Thien-2-ylcyclobutanecarboxyli…

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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) 1.80 6.62 -46.19 0 2 -1 40 181.236 2 ↓

Analogs

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Popular Name: [1-(2-thienyl)cyclobutyl]methanamine [1-(2-thienyl)cyclobutyl]methana…

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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) 1.36 4.16 -40.5 3 1 1 28 168.285 2 ↓

Analogs

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Popular Name: 1-(2-thienyl)cyclobutanamine 1-(2-thienyl)cyclobutanamine

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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) 1.95 3.48 -41.08 3 1 1 28 154.258 1 ↓
Hi High (pH 8-9.5) 1.95 3.22 -1.89 2 1 0 26 153.25 1 ↓

Parameters Provided:

ring.id = 33377
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 = 33377 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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