UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2776784
2776784
2780743
2780743
2781412
2781412

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Popular Name: 3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-1-[4-(2-furoyl)piperazino]propan-1-one 3-(4-chloro-3,5-dimethyl-pyrazol…

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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) 1.24 0.44 -14.88 0 7 0 71 364.833 4 ↓

Analogs

2786061
2786061

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Popular Name: (2R)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-[4-(2-furoyl)piperazino]-2-methyl-propan-1-one (2R)-3-(4-bromo-3,5-dimethyl-pyr…

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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) 1.85 7.19 -12.56 0 7 0 72 423.311 4 ↓

Analogs

2786060
2786060

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Popular Name: (2S)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-[4-(2-furoyl)piperazino]-2-methyl-propan-1-one (2S)-3-(4-bromo-3,5-dimethyl-pyr…

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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) 1.85 7.71 -13.25 0 7 0 72 423.311 4 ↓

Parameters Provided:

ring.id = 233993
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 = 233993 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=233993&filter.purchasability=annotated

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