UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35892425
35892425
35892506
35892506
35892201
35892201

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Popular Name: cyclobutyl-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone cyclobutyl-[4-[[(1R)-1-methylpro…

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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) 4.95 13.36 -10.43 0 5 0 49 426.63 4 ↓

Analogs

35892506
35892506
35892201
35892201
35892423
35892423

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Popular Name: cyclobutyl-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]methanone cyclobutyl-[4-[[(1S)-1-methylpro…

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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) 4.95 13.35 -10.4 0 5 0 49 426.63 4 ↓

Analogs

35892423
35892423
35892425
35892425

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Popular Name: cyclobutyl-[4-(isopropylBLAHyl)piperazin-1-yl]methanone cyclobutyl-[4-(isopropylBLAHyl)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) 4.60 12.71 -10.56 0 5 0 49 412.603 3 ↓

Analogs

35893339
35893339

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Popular Name: cyclobutyl-[4-(propylBLAHyl)piperazin-1-yl]methanone cyclobutyl-[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) 4.62 12.91 -10.52 0 5 0 49 412.603 4 ↓

Analogs

35892569
35892569

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Popular Name: [4-(butylBLAHyl)piperazin-1-yl]-cyclobutyl-methanone [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) 5.18 13.69 -10.43 0 5 0 49 426.63 5 ↓

Parameters Provided:

ring.id = 40191
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 = 40191 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=40191&filter.purchasability=annotated

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