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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-tert-butyl-2-methyl-phenyl)-6-methoxy-2-[4-(4-methoxyphenyl)-3,3-dimethyl-piperazin-1-yl]pyrimi N-(5-tert-butyl-2-methyl-phenyl)…

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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) 8.02 14.41 -6.46 1 7 0 63 489.664 7 ↓
Lo Low (pH 4.5-6) 8.02 15.05 -28.79 2 7 1 64 490.672 7 ↓

Analogs

39301137
39301137

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Popular Name: N-(2-ethoxyethyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide N-(2-ethoxyethyl)-3-[[2-(4-pheny…

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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) 4.21 12.38 -12.97 2 8 0 83 446.555 9 ↓

Analogs

39267484
39267484

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Popular Name: N-[3-(dimethylamino)-2,2-dimethyl-propyl]-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzami N-[3-(dimethylamino)-2,2-dimethy…

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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) 5.03 15.87 -46.88 3 8 1 78 488.66 9 ↓

Analogs

39267484
39267484

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-[(1S)-1,2,2-trimethylpropyl]benzamide 3-[[2-(4-phenylpiperazin-1-yl)py…

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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) 5.88 15.13 -12.24 2 7 0 73 458.61 7 ↓

Parameters Provided:

ring.id = 38736
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 = 38736 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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