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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5R)-4-(2,4-dimethylpyrimidine-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-5H-py (5R)-4-(2,4-dimethylpyrimidine-5…

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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) 1.03 6.74 -50.31 0 8 -1 99 453.494 7 ↓
Mid Mid (pH 6-8) 1.48 7.58 -62.72 2 8 1 97 455.51 6 ↓
Mid Mid (pH 6-8) 0.45 8.93 -56.43 1 8 1 94 455.51 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-5H-py (5S)-4-(2,4-dimethylpyrimidine-5…

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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) 1.03 7.08 -54.55 0 8 -1 99 453.494 7 ↓
Mid Mid (pH 6-8) 1.48 8.04 -72.46 2 8 1 97 455.51 6 ↓
Mid Mid (pH 6-8) 0.45 9.3 -63.82 1 8 1 94 455.51 7 ↓

Parameters Provided:

ring.id = 225746
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 = 225746 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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