UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38575636
38575636
34929807
34929807
34929808
34929808
34929815
34929815
34929816
34929816

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Popular Name: (2R)-2,4-dibenzyl-N-phenyl-piperazine-1-carboxamide (2R)-2,4-dibenzyl-N-phenyl-piper…

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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) 4.77 11.57 -7.93 1 4 0 36 385.511 5 ↓
Mid Mid (pH 6-8) 4.77 13.77 -44.88 2 4 1 37 386.519 5 ↓

Analogs

34929807
34929807
34929808
34929808
34929815
34929815
34929816
34929816
34970094
34970094

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Popular Name: (2S)-2,4-dibenzyl-N-phenyl-piperazine-1-carboxamide (2S)-2,4-dibenzyl-N-phenyl-piper…

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) 4.77 11.54 -7.95 1 4 0 36 385.511 5 ↓
Mid Mid (pH 6-8) 4.77 13.77 -45.18 2 4 1 37 386.519 5 ↓

Parameters Provided:

ring.id = 591861
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 = 591861 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=591861&filter.purchasability=annotated

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