UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [4-(3,4-dichlorophenyl)piperazin-1-yl]methyl-dimethyl-BLAHone [4-(3,4-dichlorophenyl)piperazin…

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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) 4.56 10.39 -9.01 0 5 0 45 479.448 3 ↓

Analogs

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Popular Name: dimethyl-[[(3R)-3-methyl-4-(m-tolyl)piperazin-1-yl]methyl]BLAHone dimethyl-[[(3R)-3-methyl-4-(m-to…

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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) 4.03 11.1 -6.78 0 5 0 45 438.612 3 ↓

Analogs

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Popular Name: dimethyl-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]BLAHone dimethyl-[[4-[3-(trifluoromethyl…

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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) 4.14 11.61 -14.25 0 5 0 45 478.555 4 ↓

Analogs

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Popular Name: dimethyl-[[4-(m-tolyl)piperazin-1-yl]methyl]BLAHone dimethyl-[[4-(m-tolyl)piperazin-…

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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) 3.70 11.51 -13.44 0 5 0 45 424.585 3 ↓

Parameters Provided:

ring.id = 194930
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 = 194930 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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