UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48574885
48574885
48697087
48697087
48697088
48697088
49090161
49090161
49090162
49090162

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Popular Name: 2-(cyclopentylamino)-1-[(2S)-2-(3-methylisoxazol-5-yl)pyrrolidin-1-yl]ethanone 2-(cyclopentylamino)-1-[(2S)-2-(…

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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) 1.78 6.54 -43.83 2 5 1 63 278.376 4 ↓
Hi High (pH 8-9.5) 1.78 5.33 -13.55 1 5 0 58 277.368 4 ↓

Analogs

48574885
48574885
48697087
48697087
48697088
48697088
49090161
49090161
49090162
49090162

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopentylamino)-1-[(2R)-2-(3-methylisoxazol-5-yl)pyrrolidin-1-yl]ethanone 2-(cyclopentylamino)-1-[(2R)-2-(…

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) 1.78 6.53 -43.51 2 5 1 63 278.376 4 ↓
Hi High (pH 8-9.5) 1.78 5.32 -12.77 1 5 0 58 277.368 4 ↓

Parameters Provided:

ring.id = 578587
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 = 578587 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=578587&filter.purchasability=annotated

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