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

Analogs

36203768
36203768
36203803
36203803
7612979
7612979

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-methylpiperazin-1-yl)methyl]-5-phenyl-3H-thieno[3,2-e]pyrimidin-4-one 2-[(4-methylpiperazin-1-yl)methy…

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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) 2.27 7.61 -48.24 2 5 1 53 341.46 3 ↓
Mid Mid (pH 6-8) 2.27 7.45 -51.86 2 5 1 53 341.46 3 ↓
Mid Mid (pH 6-8) 2.27 5.15 -12.88 1 5 0 52 340.452 3 ↓

Analogs

36203915
36203915
21131178
21131178

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-3H-thieno[3,2-e]pyrimidin-4-one 5-(4-chlorophenyl)-2-[(4-methylp…

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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) 2.95 8.13 -47.87 2 5 1 53 375.905 3 ↓
Mid Mid (pH 6-8) 2.95 7.97 -51.99 2 5 1 53 375.905 3 ↓
Mid Mid (pH 6-8) 2.95 5.67 -11.95 1 5 0 52 374.897 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[[4-(2,2-difluoroethyl)piperaz…

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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) 2.84 6.38 -14.19 1 5 0 52 390.459 5 ↓
Mid Mid (pH 6-8) 2.84 8.62 -53.19 2 5 1 53 391.467 5 ↓

Parameters Provided:

ring.id = 43142
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 = 43142 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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