UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclopropyl-N-[(4-isopropylphenyl)methyl]tetrazolo[5,1-f]pyridazin-6-amine N-cyclopropyl-N-[(4-isopropylphe…

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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) 3.62 9.66 -14.95 0 6 0 59 308.389 5 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]tetrazolo[5,1-f]pyridazin-6-amine N-cyclopropyl-N-[[4-(difluoromet…

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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) 2.31 6.97 -21.79 0 8 0 78 362.34 7 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]tetrazolo[5,1-f]pyridazin-6-amine N-cyclopropyl-N-[(4-methoxypheny…

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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) 2.16 6.75 -17.69 0 7 0 68 296.334 5 ↓

Parameters Provided:

ring.id = 110735
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 = 110735 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=110735&filter.purchasability=annotated

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