UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21810721
21810721
21810723
21810723
21811073
21811073
21811075
21811075
21811110
21811110

Draw Identity 99% 90% 80% 70%

Popular Name: N-cycloheptyl-[2-(cyclohexyl-methyl-amino)ethyl]-methyl-oxo-BLAHcarboxamide N-cycloheptyl-[2-(cyclohexyl-met…

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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 11.92 -47.45 2 7 1 72 469.65 6 ↓
Hi High (pH 8-9.5) 4.77 9.61 -9.8 1 7 0 71 468.642 6 ↓

Analogs

21810721
21810721
21810723
21810723
21811073
21811073
21811075
21811075
21811110
21811110

Draw Identity 99% 90% 80% 70%

Popular Name: N-cycloheptyl-[2-(cyclohexyl-methyl-amino)ethyl]-methyl-oxo-BLAHcarboxamide N-cycloheptyl-[2-(cyclohexyl-met…

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 12.8 -45.82 2 7 1 72 469.65 6 ↓
Hi High (pH 8-9.5) 4.77 10.47 -11.58 1 7 0 71 468.642 6 ↓

Parameters Provided:

ring.id = 83488
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 = 83488 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=83488&filter.purchasability=annotated

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