UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5156891
5156891
6265211
6265211

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Popular Name: 2-[4-(dimethyl-propylsulfanyl-BLAHyl)piperazin-1-yl]ethanol 2-[4-(dimethyl-propylsulfanyl-BL…

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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) 4.11 5.69 -9.58 1 6 0 62 422.62 6 ↓

Analogs

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Popular Name: 2-[4-(ethyl-methyl-propylsulfanyl-BLAHyl)piperazin-1-yl]ethanol 2-[4-(ethyl-methyl-propylsulfany…

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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) 4.61 6.33 -8.37 1 6 0 62 436.647 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(ethyl-methyl-propylsulfanyl-BLAHyl)piperazin-1-yl]ethanol 2-[4-(ethyl-methyl-propylsulfany…

Find On: PubMed — Wikipedia — Google

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) 4.61 6.32 -8.6 1 6 0 62 436.647 7 ↓

Parameters Provided:

ring.id = 71363
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 = 71363 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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