UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20613877
20613877
20044902
20044902

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Popular Name: [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[(5R)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]met [4-[(4-fluorophenyl)methyl]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) 2.96 8.9 -8.81 0 5 0 50 357.429 3 ↓

Analogs

20613876
20613876

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Popular Name: [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[(5S)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]met [4-[(4-fluorophenyl)methyl]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) 2.96 8.88 -8.83 0 5 0 50 357.429 3 ↓

Analogs

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Popular Name: [4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methano [4-[(2-chloro-4-fluoro-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) 3.33 8.81 -8.46 0 5 0 50 377.847 3 ↓

Analogs

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Popular Name: [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone [4-[(3-fluorophenyl)methyl]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) 2.70 8.1 -8.76 0 5 0 50 343.402 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone [4-[(4-fluorophenyl)methyl]piper…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.73 8.08 -8.61 0 5 0 50 343.402 3 ↓

Parameters Provided:

ring.id = 73442
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 = 73442 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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