UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1,3-dimethyl-5-[(2S)-2-methylazepan-1-yl]pyrazol-4-amine 1,3-dimethyl-5-[(2S)-2-methylaze…

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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) 1.99 5.22 -4.63 2 4 0 47 222.336 1 ↓
Mid Mid (pH 6-8) 1.99 5.33 -23.68 3 4 1 48 223.344 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-5-[(2R)-2-methylazepan-1-yl]pyrazol-4-amine 1,3-dimethyl-5-[(2R)-2-methylaze…

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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) 1.99 5.19 -4.68 2 4 0 47 222.336 1 ↓
Mid Mid (pH 6-8) 1.99 5.32 -23.73 3 4 1 48 223.344 1 ↓

Parameters Provided:

ring.id = 502720
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 = 502720 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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