UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-triazol-4-yl)methanone (5-amino-3,4-dihydro-1H-isoquino…

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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) 0.29 2.18 -8 3 6 0 88 243.27 1 ↓
Mid Mid (pH 6-8) 0.29 2.16 -38.61 2 6 -1 86 242.262 1 ↓

Analogs

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Popular Name: (7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-triazol-4-yl)methanone (7-ethoxy-3,4-dihydro-1H-isoquin…

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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) 1.26 4.42 -8.3 1 6 0 71 272.308 3 ↓
Mid Mid (pH 6-8) 1.26 4.4 -40 0 6 -1 69 271.3 3 ↓

Parameters Provided:

ring.id = 527719
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 = 527719 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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