UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-chlorophenyl)-4-methyl-7-phenyl-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-2-amine N-(4-chlorophenyl)-4-methyl-7-ph…

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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) 5.53 0.78 -8.82 1 4 0 42 334.81 3 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-4,8-dimethyl-7-phenyl-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-2-amine N-(4-fluorophenyl)-4,8-dimethyl-…

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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) 5.24 1.67 -10.21 1 4 0 42 332.382 3 ↓

Parameters Provided:

ring.id = 1755
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 = 1755 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=1755&filter.purchasability=annotated

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