UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(4-fluorophenyl)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]acetamide 2-(4-fluorophenyl)-N-[4-[(6-meth…

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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) 3.71 0.46 -16.1 2 5 0 67 336.37 5 ↓

Analogs

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Popular Name: 2-(4-ethoxyphenyl)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]acetamide 2-(4-ethoxyphenyl)-N-[4-[(6-meth…

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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) 3.98 -0.25 -16.61 2 6 0 76 362.433 7 ↓

Analogs

34885646
34885646

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Popular Name: 2-(4-methoxyphenyl)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]acetamide 2-(4-methoxyphenyl)-N-[4-[(6-met…

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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) 3.61 -0.27 -16.71 2 6 0 76 348.406 6 ↓

Analogs

39301326
39301326

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Popular Name: N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenyl-acetamide N-[4-[(6-methylpyrimidin-4-yl)am…

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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) 3.55 -0.28 -15.04 2 5 0 67 318.38 5 ↓

Analogs

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Popular Name: N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide N-[4-[(6-methoxy-2-methyl-pyrimi…

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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) 3.65 -2.4 -14.12 2 7 0 85 378.432 7 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]acetamide 2-(4-chlorophenyl)-N-[4-[(6-meth…

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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) 4.27 -2.57 -12.94 2 6 0 76 382.851 6 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-N-[4-[(6-ethoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]acetamide 2-(4-chlorophenyl)-N-[4-[(6-etho…

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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) 4.65 -2.59 -13.15 2 6 0 76 396.878 7 ↓

Parameters Provided:

ring.id = 94182
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 = 94182 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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