UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12539355
12539355
40188165
40188165
40188166
40188166
40191919
40191919
40191920
40191920

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Popular Name: 1-[(2R)-2-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone 1-[(2R)-2-[1-(3-phenylpropyl)ben…

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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) 3.68 12.04 -17.11 0 4 0 38 347.462 5 ↓

Analogs

40188165
40188165
40188166
40188166
40191919
40191919
40191920
40191920
12539353
12539353

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone 1-[(2S)-2-[1-(3-phenylpropyl)ben…

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) 3.68 12.02 -16.18 0 4 0 38 347.462 5 ↓

Parameters Provided:

ring.id = 106373
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 = 106373 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=106373&filter.purchasability=annotated

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