UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39251150
39251150
39251151
39251151
32224913
32224913
32135204
32135204
32135205
32135205

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Popular Name: (1R,2S,3R,5S,7S)-4-oxoadamantane-2-carbonitrile (1R,2S,3R,5S,7S)-4-oxoadamantane…

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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) 1.97 5.76 -12.98 0 2 0 41 175.231 0 ↓

Analogs

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Popular Name: (3S,5R)-N-[(2-allyloxyphenyl)methyl]-N-ethyl-4-oxo-adamantane-1-carboxamide (3S,5R)-N-[(2-allyloxyphenyl)met…

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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) 3.56 12.09 -8.31 0 4 0 47 367.489 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R)-N-butyl-N-[(3-methyl-2-thienyl)methyl]-4-oxo-adamantane-1-carboxamide (3S,5R)-N-butyl-N-[(3-methyl-2-t…

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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) 4.25 11.18 -6.57 0 3 0 37 359.535 6 ↓

Parameters Provided:

ring.id = 94428
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 = 94428 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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