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

Analogs

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Popular Name: 4-[4-(3-methylbut-2-enyl)piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidine 4-[4-(3-methylbut-2-enyl)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) 4.80 -0.88 -41.54 1 4 1 33 349.502 4 ↓

Analogs

6704391
6704391
6705106
6705106
6705556
6705556

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Popular Name: 2-phenyl-4-(4-propylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[e]pyrimidine 2-phenyl-4-(4-propylpiperazin-1-…

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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) 4.00 -1.42 -42.15 1 4 1 33 323.464 4 ↓

Analogs

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Popular Name: (2S)-2-methoxy-1-[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one (2S)-2-methoxy-1-[4-(2-phenyl-6,…

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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) 3.29 11.3 -13.77 0 6 0 59 380.492 5 ↓
Mid Mid (pH 6-8) 3.29 11.62 -36.21 1 6 1 60 381.5 5 ↓

Analogs

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Popular Name: (2R)-2-methoxy-1-[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one (2R)-2-methoxy-1-[4-(2-phenyl-6,…

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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) 3.29 11.13 -14.62 0 6 0 59 380.492 5 ↓
Mid Mid (pH 6-8) 3.29 11.46 -37.17 1 6 1 60 381.5 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-2-methyl-1-[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-1 2-methoxy-2-methyl-1-[4-(2-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) 3.24 10.22 -10.97 0 6 0 59 380.492 4 ↓
Mid Mid (pH 6-8) 3.24 10.54 -31.72 1 6 1 60 381.5 4 ↓

Parameters Provided:

ring.id = 46177
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 = 46177 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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