UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11990635
11990635
11990636
11990636
11990637
11990637
1255055
1255055

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Popular Name: 4-[4-hydroxy-2-oxo-6-phenyl-4-(trifluoromethyl)hexahydropyrimidin-5-yl]carbonyl-N,N-dimethyl-benzene 4-[4-hydroxy-2-oxo-6-phenyl-4-(t…

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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) 2.36 1.28 -18.51 3 8 0 116 471.457 6 ↓
Hi High (pH 8-9.5) 1.99 -1.75 -54.63 2 8 -1 122 470.449 6 ↓
Mid Mid (pH 6-8) 1.99 0.07 -44.27 4 8 1 121 472.465 6 ↓

Analogs

11990635
11990635
11990636
11990636
11990637
11990637
1255055
1255055

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-hydroxy-2-oxo-6-phenyl-4-(trifluoromethyl)hexahydropyrimidin-5-yl]carbonyl-N,N-dimethyl-benzene 4-[4-hydroxy-2-oxo-6-phenyl-4-(t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.36 2.21 -14.31 3 8 0 116 471.457 6 ↓
Hi High (pH 8-9.5) 1.99 -0.44 -56.69 2 8 -1 122 470.449 6 ↓
Mid Mid (pH 6-8) 1.99 -0.61 -45.58 4 8 1 121 472.465 6 ↓

Analogs

11990635
11990635
11990636
11990636
11990637
11990637
1255055
1255055

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-hydroxy-2-oxo-6-phenyl-4-(trifluoromethyl)hexahydropyrimidin-5-yl]carbonyl-N,N-dimethyl-benzene 4-[4-hydroxy-2-oxo-6-phenyl-4-(t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.36 1.25 -18.13 3 8 0 116 471.457 6 ↓
Hi High (pH 8-9.5) 1.99 -0.34 -50.09 2 8 -1 122 470.449 6 ↓
Mid Mid (pH 6-8) 1.99 -0.23 -43.53 4 8 1 121 472.465 6 ↓

Parameters Provided:

ring.id = 4700
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 = 4700 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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