UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35819540
35819540
35819542
35819542
35819553
35819553
35819556
35819556

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Popular Name: N-[3-(2-morpholinoethylamino)-3-oxo-propyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrazine-2-carboxam N-[3-(2-morpholinoethylamino)-3-…

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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) -0.46 1.87 -18.61 1 9 0 97 391.472 9 ↓
Mid Mid (pH 6-8) -0.46 4.14 -51.62 2 9 1 98 392.48 9 ↓

Analogs

35819540
35819540
35819542
35819542
35819553
35819553
35819556
35819556

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(2-morpholinoethylamino)-3-oxo-propyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrazine-2-carboxam N-[3-(2-morpholinoethylamino)-3-…

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) -0.46 2.63 -14.91 1 9 0 97 391.472 9 ↓
Mid Mid (pH 6-8) -0.46 4.9 -53.21 2 9 1 98 392.48 9 ↓

Parameters Provided:

ring.id = 566320
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 = 566320 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=566320&filter.purchasability=annotated

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