UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43700598
43700598
43700599
43700599

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Popular Name: N-[[(2R)-4-isobutylmorpholin-2-yl]methyl]-1H-benzimidazole-5-carboxamide N-[[(2R)-4-isobutylmorpholin-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) 1.58 4.24 -15.49 2 6 0 70 316.405 5 ↓
Mid Mid (pH 6-8) 1.58 6.25 -51.28 3 6 1 71 317.413 5 ↓
Lo Low (pH 4.5-6) 1.58 6.74 -87.46 4 6 2 73 318.421 5 ↓

Analogs

43700598
43700598
43700599
43700599

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-4-isobutylmorpholin-2-yl]methyl]-1H-benzimidazole-5-carboxamide N-[[(2S)-4-isobutylmorpholin-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) 1.58 4.28 -15.34 2 6 0 70 316.405 5 ↓
Mid Mid (pH 6-8) 1.58 6.31 -51.06 3 6 1 71 317.413 5 ↓
Lo Low (pH 4.5-6) 1.58 6.8 -87.18 4 6 2 73 318.421 5 ↓

Parameters Provided:

ring.id = 433587
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 = 433587 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=433587&filter.purchasability=annotated

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