UCSF
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Analogs

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Popular Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]prop-2-en-1-one (E)-3-(5-bromo-2-methoxy-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) 2.71 6.95 -14.88 0 6 0 68 406.28 4 ↓

Analogs

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Popular Name: (E)-3-(2,3-dichlorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]prop-2-en-1-one (E)-3-(2,3-dichlorophenyl)-1-[4-…

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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) 3.17 7.84 -17.44 0 5 0 59 366.248 3 ↓

Analogs

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Popular Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]prop-2-e (E)-3-(3-chloro-5-ethoxy-4-metho…

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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) 2.92 7.76 -15.19 0 7 0 78 405.882 6 ↓

Analogs

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Popular Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]prop-2-en-1-one (E)-3-(5-bromo-2-fluoro-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) 2.81 7.61 -14.13 0 5 0 59 394.244 3 ↓

Analogs

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Popular Name: (E)-3-(3-methoxy-4-propoxy-phenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]prop-2-en-1-one (E)-3-(3-methoxy-4-propoxy-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) 2.62 7.89 -17.24 0 7 0 78 385.464 7 ↓

Analogs

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Popular Name: (E)-3-(3,4-dichlorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]prop-2-en-1-one (E)-3-(3,4-dichlorophenyl)-1-[4-…

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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) 3.38 7.93 -15.1 0 5 0 59 366.248 3 ↓

Analogs

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Popular Name: (E)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-3-(2-nitrophenyl)prop-2-en-1-one (E)-1-[4-(3-methyl-1,2,4-oxadiaz…

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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) 1.82 7.54 -23.75 0 8 0 105 342.355 4 ↓

Analogs

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Popular Name: (E)-3-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]prop-2-en-1-one (E)-3-(4-fluorophenyl)-1-[4-(3-m…

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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) 2.26 7.03 -14.25 0 5 0 59 315.348 3 ↓

Analogs

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Popular Name: (E)-3-[4-(difluoromethoxy)-3-methoxy-phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]prop-2 (E)-3-[4-(difluoromethoxy)-3-met…

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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) 2.30 6.46 -17.57 0 7 0 78 393.39 6 ↓

Analogs

4408640
4408640

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Popular Name: (E)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]prop-2-en-1-one (E)-3-(2-methoxyphenyl)-1-[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) 1.92 6.33 -16.63 0 6 0 68 327.384 4 ↓

Analogs

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Popular Name: (E)-3-(3-chlorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]prop-2-en-1-one (E)-3-(3-chlorophenyl)-1-[4-(3-m…

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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) 2.75 7.46 -14.47 0 5 0 59 331.803 3 ↓

Analogs

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Popular Name: (E)-3-[2-(difluoromethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]prop-2-en-1-one (E)-3-[2-(difluoromethoxy)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) 2.48 6.6 -17.76 0 6 0 68 363.364 5 ↓

Parameters Provided:

ring.id = 62527
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 = 62527 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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