UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14557679
14557679
14557681
14557681
14557684
14557684

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Popular Name: (4S)-4-[(2S)-5,7-dihydroxy-4-oxo-2-phenyl-chroman-8-yl]-1,3-diazepan-2-one (4S)-4-[(2S)-5,7-dihydroxy-4-oxo…

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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) 1.88 3.06 -13.93 4 7 0 108 368.389 2 ↓

Analogs

14557681
14557681
14557677
14557677

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[(2R)-5,7-dihydroxy-4-oxo-2-phenyl-chroman-8-yl]-1,3-diazepan-2-one (4S)-4-[(2R)-5,7-dihydroxy-4-oxo…

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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) 1.88 3.2 -12.87 4 7 0 108 368.389 2 ↓

Analogs

14557684
14557684
14557677
14557677
14557679
14557679

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[(2S)-5,7-dihydroxy-4-oxo-2-phenyl-chroman-8-yl]-1,3-diazepan-2-one (4R)-4-[(2S)-5,7-dihydroxy-4-oxo…

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) 1.88 3.12 -15.12 4 7 0 108 368.389 2 ↓

Analogs

14557677
14557677
14557681
14557681

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[(2R)-5,7-dihydroxy-4-oxo-2-phenyl-chroman-8-yl]-1,3-diazepan-2-one (4R)-4-[(2R)-5,7-dihydroxy-4-oxo…

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) 1.88 2.9 -15.47 4 7 0 108 368.389 2 ↓

Parameters Provided:

ring.id = 246891
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 = 246891 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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