UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43705052
43705052
43705053
43705053
43705054
43705054
43705055
43705055
43705056
43705056

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Popular Name: (2S)-2-(1-methylbenzimidazol-2-yl)morpholine (2S)-2-(1-methylbenzimidazol-2-y…

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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) 0.84 3.99 -50.49 2 4 1 44 218.28 1 ↓
Mid Mid (pH 6-8) 0.84 2.62 -10.96 1 4 0 39 217.272 1 ↓
Lo Low (pH 4.5-6) 0.84 4.5 -95.94 3 4 2 45 219.288 1 ↓

Analogs

43705052
43705052
43705053
43705053
43705054
43705054
43705055
43705055
43705056
43705056

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1-methylbenzimidazol-2-yl)morpholine (2R)-2-(1-methylbenzimidazol-2-y…

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) 0.84 4.01 -50.93 2 4 1 44 218.28 1 ↓
Mid Mid (pH 6-8) 0.84 2.64 -11.94 1 4 0 39 217.272 1 ↓
Lo Low (pH 4.5-6) 0.84 4.93 -96.15 3 4 2 45 219.288 1 ↓

Parameters Provided:

ring.id = 124298
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 = 124298 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=124298&filter.purchasability=annotated

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