UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41200973
41200973
41197657
41197657
41197659
41197659

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Popular Name: (3S)-N-cyclopropyl-3-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)tetrahydrothiophen-3-amine (3S)-N-cyclopropyl-3-(5,6-dihydr…

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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) 2.40 7.29 -35.56 2 2 1 29 267.443 3 ↓
Mid Mid (pH 6-8) 2.40 5.7 -6.92 1 2 0 25 266.435 3 ↓

Analogs

41197657
41197657
41197659
41197659
41200969
41200969

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-3-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)tetrahydrothiophen-3-amine (3R)-N-cyclopropyl-3-(5,6-dihydr…

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) 2.40 6.81 -33.15 2 2 1 29 267.443 3 ↓
Mid Mid (pH 6-8) 2.40 5.7 -5.62 1 2 0 25 266.435 3 ↓

Parameters Provided:

ring.id = 521758
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 = 521758 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=521758&filter.purchasability=annotated

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