UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thiophen-2-amine 3-(4-cyclopropyl-5-methyl-1,2,4-…

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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) 0.31 5.22 -15.97 1 4 0 55 220.301 2 ↓
Mid Mid (pH 6-8) 1.22 5.54 -11.32 2 4 0 57 220.301 2 ↓

Analogs

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Popular Name: 3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4,5-dimethyl-thiophen-2-amine 3-(4-cyclopropyl-5-methyl-1,2,4-…

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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) 1.22 6.16 -14.25 1 4 0 55 248.355 2 ↓
Mid Mid (pH 6-8) 1.82 6.61 -12.54 2 4 0 57 248.355 2 ↓

Parameters Provided:

ring.id = 606746
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 = 606746 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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