UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35892382
35892382
35892187
35892187
35552703
35552703

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Popular Name: 1-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]-3-phenyl-propan-1-one 1-[4-[[(1R)-1-methylpropyl]BLAHy…

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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) 6.23 15.9 -10.56 0 5 0 49 476.69 6 ↓

Analogs

35892187
35892187
35892380
35892380
35552703
35552703

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Popular Name: 1-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]-3-phenyl-propan-1-one 1-[4-[[(1S)-1-methylpropyl]BLAHy…

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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) 6.23 15.9 -10.52 0 5 0 49 476.69 6 ↓

Analogs

35893326
35893326
35554061
35554061

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Popular Name: 3-phenyl-1-[4-(propylBLAHyl)piperazin-1-yl]propan-1-one 3-phenyl-1-[4-(propylBLAHyl)pipe…

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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) 5.90 15.46 -10.64 0 5 0 49 462.663 6 ↓

Analogs

35892549
35892549
35554061
35554061

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Popular Name: 1-[4-(butylBLAHyl)piperazin-1-yl]-3-phenyl-propan-1-one 1-[4-(butylBLAHyl)piperazin-1-yl…

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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) 6.46 16.24 -10.54 0 5 0 49 476.69 7 ↓

Parameters Provided:

ring.id = 40134
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 = 40134 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=40134&filter.purchasability=annotated

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