UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7791631
7791631

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Popular Name: 1-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-2-one 1-[(5-fluoro-2-methoxy-phenyl)me…

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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) 0.51 3.99 -50.95 2 4 1 46 239.27 3 ↓
Mid Mid (pH 6-8) 0.51 2.62 -9.25 1 4 0 42 238.262 3 ↓

Analogs

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Popular Name: 1-[(2,4,6-trimethylphenyl)methyl]piperazin-2-one 1-[(2,4,6-trimethylphenyl)methyl…

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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 5.9 -49.19 2 3 1 37 233.335 2 ↓
Mid Mid (pH 6-8) 1.56 4.53 -6.78 1 3 0 32 232.327 2 ↓

Analogs

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Popular Name: 4-[2-hydroxy-1-(hydroxymethyl)ethyl]-1-(p-tolylmethyl)piperazin-2-one 4-[2-hydroxy-1-(hydroxymethyl)et…

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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) 0.12 3.56 -41.76 3 5 1 65 279.36 5 ↓
Mid Mid (pH 6-8) 0.12 1.27 -11.79 2 5 0 64 278.352 5 ↓

Analogs

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Popular Name: Methyl 2-(4-benzyl-3-oxo-2-piperazinyl)acetate Methyl 2-(4-benzyl-3-oxo-2-piper…

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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) 0.52 4.7 -8.17 1 5 0 59 262.309 5 ↓
Mid Mid (pH 6-8) 0.52 5.96 -43.23 2 5 1 63 263.317 5 ↓

Analogs

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Popular Name: Methyl 2-(4-benzyl-3-oxo-2-piperazinyl)acetate Methyl 2-(4-benzyl-3-oxo-2-piper…

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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) 0.52 4.87 -9.12 1 5 0 59 262.309 5 ↓
Mid Mid (pH 6-8) 0.52 5.99 -42.23 2 5 1 63 263.317 5 ↓

Analogs

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Popular Name: 1-[(3-methoxyphenyl)methyl]-4-(3,3,3-trifluoropropyl)piperazin-2-one 1-[(3-methoxyphenyl)methyl]-4-(3…

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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) 2.18 5.44 -12.31 0 4 0 33 316.323 6 ↓
Mid Mid (pH 6-8) 2.18 7.71 -54.3 1 4 1 34 317.331 6 ↓

Analogs

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Popular Name: 4-(2-methylsulfonylacetyl)-1-(p-tolylmethyl)piperazin-2-one 4-(2-methylsulfonylacetyl)-1-(p-…

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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) 0.12 4.2 -25.03 0 6 0 75 324.402 4 ↓

Parameters Provided:

ring.id = 28836
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 = 28836 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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