UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (6R,7S)-7-[4-(2,4-dichlorobenzyl)oxy-3-methoxy-phenyl]-5-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]py (6R,7S)-7-[4-(2,4-dichlorobenzyl…

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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) 3.23 9.52 -21.91 2 8 0 105 460.321 6 ↓

Analogs

6595634
6595634

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Popular Name: (6S,7R)-7-[3-ethoxy-4-(2-methylbenzyl)oxy-phenyl]-5-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimid (6S,7R)-7-[3-ethoxy-4-(2-methylb…

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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) 2.73 10.05 -23.45 2 8 0 105 419.485 7 ↓

Analogs

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Popular Name: (6R,7S)-7-[4-(2-chloro-6-fluoro-benzyl)oxyphenyl]-5-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimid (6R,7S)-7-[4-(2-chloro-6-fluoro-…

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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) 3.11 9.04 -22.79 2 7 0 95 413.84 5 ↓

Analogs

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Popular Name: (7S)-7-(4-benzyloxy-3-methoxy-phenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a (7S)-7-(4-benzyloxy-3-methoxy-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) 1.87 6.85 -33.38 3 9 0 125 449.511 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(4-benzyloxy-3-methoxy-phenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a (7R)-7-(4-benzyloxy-3-methoxy-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) 1.87 6.4 -27.06 3 9 0 125 449.511 9 ↓

Parameters Provided:

ring.id = 229941
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 = 229941 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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