UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9013267
9013267
9013542
9013542
9013543
9013543

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Popular Name: N-[(7R)-5,7-diphenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxy-benzamide N-[(7R)-5,7-diphenyl-6,7-dihydro…

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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) 4.37 15.37 -21.57 1 7 0 81 423.476 5 ↓
Ref Reference (pH 7) 4.44 14.32 -49.79 1 7 -1 91 422.468 5 ↓
Mid Mid (pH 6-8) 4.37 15.7 -39.55 2 7 1 83 424.484 5 ↓

Analogs

8587316
8587316
8587317
8587317
521013
521013
521014
521014

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(7S)-5,7-diphenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxy-benzamide N-[(7S)-5,7-diphenyl-6,7-dihydro…

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) 4.37 14.94 -22.66 1 7 0 81 423.476 5 ↓
Mid Mid (pH 6-8) 4.37 15.26 -39.32 2 7 1 83 424.484 5 ↓
Lo Low (pH 4.5-6) 4.37 16.08 -32.93 3 7 1 86 424.484 5 ↓

Parameters Provided:

ring.id = 230071
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 = 230071 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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