UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclopentyl-3-methyl-1-phenyl-pyrazole-4-carboxamide N-cyclopentyl-3-methyl-1-phenyl-…

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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) 2.40 0.18 -11.93 1 4 0 47 269.348 3 ↓

Analogs

44522822
44522822

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Popular Name: N-(2-amino-2-oxo-ethyl)-1-(4-chlorophenyl)-N-cyclopentyl-pyrazole-4-carboxamide N-(2-amino-2-oxo-ethyl)-1-(4-chl…

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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) 1.36 6.02 -14.66 2 6 0 81 346.818 5 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-5-methyl-1-phenyl-pyrazole-4-carboxamide N-(2-amino-2-oxo-ethyl)-N-cyclop…

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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) 0.91 5.88 -16.54 2 6 0 81 326.4 5 ↓

Parameters Provided:

ring.id = 76233
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 = 76233 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=76233&filter.purchasability=annotated

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