UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4R)-4-[3,5-dimethyl-4-(2-pyridylmethoxy)phenyl]-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-am (4R)-4-[3,5-dimethyl-4-(2-pyridy…

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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) 3.79 11.88 -43.97 4 7 1 90 399.478 4 ↓
Mid Mid (pH 6-8) 3.66 11.43 -20.6 3 7 0 90 398.47 4 ↓
Mid Mid (pH 6-8) 3.66 11.92 -42.08 4 7 1 92 399.478 4 ↓

Analogs

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Popular Name: (4S)-4-[3,5-dimethyl-4-(2-pyridylmethoxy)phenyl]-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-am (4S)-4-[3,5-dimethyl-4-(2-pyridy…

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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) 3.79 11.88 -43.79 4 7 1 90 399.478 4 ↓
Mid Mid (pH 6-8) 3.66 11.43 -20.63 3 7 0 90 398.47 4 ↓
Mid Mid (pH 6-8) 3.66 11.92 -41.99 4 7 1 92 399.478 4 ↓

Parameters Provided:

ring.id = 124035
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 = 124035 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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