UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2Z)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-10,10-dimethyl-6,7,8,9-tetrahydropyrimido[1 (2Z)-2-[[(4-fluorophenyl)methyla…

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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) 1.25 6.16 -81.42 3 7 0 104 360.389 3 ↓
Mid Mid (pH 6-8) 1.25 5.21 -57.45 4 7 1 101 361.397 3 ↓
Mid Mid (pH 6-8) 1.25 4.14 -12.58 3 7 0 96 360.389 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-9,10,10-trimethyl-7,8-dihydro-6H-pyrimido[1 (2Z)-2-[[(4-fluorophenyl)methyla…

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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) 1.56 2.23 -11.11 2 7 0 91 374.416 3 ↓
Mid Mid (pH 6-8) 1.56 2.86 -53.43 1 7 -1 94 373.408 3 ↓
Mid Mid (pH 6-8) 1.56 4.61 -67.99 2 7 0 95 374.416 3 ↓

Parameters Provided:

ring.id = 15095
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 = 15095 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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