UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1-methylpyrazol-4-yl)BLAH (1-methylpyrazol-4-yl)BLAH

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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) 1.68 4.72 -11.78 1 6 0 65 270.292 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-pyrazol-4-ylBLAH 1H-pyrazol-4-ylBLAH

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) 1.61 3.42 -11.33 2 6 0 76 256.265 1 ↓
Lo Low (pH 4.5-6) 1.61 3.26 -33.02 3 6 1 77 257.273 1 ↓

Parameters Provided:

ring.id = 123983
filter.purchasability = annotated
page.format = targets
page.num = 1
VisitorId = cc09c490-a080-4693-8183-aa2946d713de

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 = 123983 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=123983&filter.purchasability=annotated

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