UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25397354
25397354
37801997
37801997
37801998
37801998
37802000
37802000
37802029
37802029

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Popular Name: cyclohexyl-[4-(3-thienylmethyl)piperazin-1-yl]methanone cyclohexyl-[4-(3-thienylmethyl)p…

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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) 2.83 7.03 -7.3 0 3 0 24 292.448 3 ↓
Mid Mid (pH 6-8) 2.83 9.26 -45.16 1 3 1 25 293.456 3 ↓

Analogs

25397354
25397354
37801997
37801997
37801998
37801998
37802000
37802000
37802029
37802029

Draw Identity 99% 90% 80% 70%

Popular Name: (4-butylcyclohexyl)-[4-(3-thienylmethyl)piperazin-1-yl]methanone (4-butylcyclohexyl)-[4-(3-thieny…

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) 4.35 9.58 -7.46 0 3 0 24 348.556 6 ↓
Mid Mid (pH 6-8) 4.35 11.82 -46.26 1 3 1 25 349.564 6 ↓

Parameters Provided:

ring.id = 373252
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 = 373252 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=373252&filter.purchasability=annotated

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