UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(cyclopropylmethylamino)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide 2-(cyclopropylmethylamino)-N-[(4…

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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) 1.31 6.33 -42.45 3 3 1 46 265.402 5 ↓
Hi High (pH 8-9.5) 1.31 4.98 -8.23 2 3 0 41 264.394 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylamino)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide 2-(cyclopropylmethylamino)-N-[(4…

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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) 1.31 6.18 -43.46 3 3 1 46 265.402 5 ↓
Hi High (pH 8-9.5) 1.31 4.82 -8.48 2 3 0 41 264.394 5 ↓

Parameters Provided:

ring.id = 212113
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 = 212113 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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