UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]-4-piperidyl]propanamide N-cyclopropyl-3-[1-[(2-hydroxyph…

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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) 2.65 6.91 -42.46 3 4 1 54 303.426 6 ↓
Hi High (pH 8-9.5) 2.65 7.72 -37.46 2 4 0 57 302.418 6 ↓

Analogs

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Popular Name: N-cyclopropyl-3-[1-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]-4-piperidyl]propanamide N-cyclopropyl-3-[1-[[4-(3-hydrox…

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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) 3.09 -1.45 -51.1 3 4 1 54 369.529 6 ↓

Analogs

37807587
37807587
37807589
37807589

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Popular Name: 3-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-N-cyclopropyl-propanamide 3-[1-[(4-chlorophenyl)methyl]-4-…

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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) 3.39 10.07 -48.3 2 3 1 34 321.872 6 ↓

Parameters Provided:

ring.id = 45952
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 = 45952 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=45952&filter.purchasability=annotated

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