UCSF
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Analogs

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Popular Name: (3aS,6aS)-5-(3-fluoro-4-methyl-phenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3a,6a-dihydropyrrol (3aS,6aS)-5-(3-fluoro-4-methyl-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) 2.30 4.64 -13.83 0 9 0 104 406.377 4 ↓

Analogs

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Popular Name: (3aS,6aS)-5-(3,5-dimethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3a,6a-dihydropyrrolo[3,4 (3aS,6aS)-5-(3,5-dimethoxyphenyl…

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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) 1.80 2.54 -16.4 0 11 0 123 434.412 6 ↓

Analogs

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Popular Name: (3aS,6aS)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-dimethoxyphenyl)-3a,6a-dihydrop (3aS,6aS)-1-[[3-(3-chlorophenyl)…

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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) 2.46 3.05 -16.27 0 11 0 123 468.857 6 ↓
Hi High (pH 8-9.5) 4.15 2.58 -137.69 0 11 -2 139 466.841 6 ↓
Mid Mid (pH 6-8) 4.15 1.05 -16.59 2 11 0 134 468.857 6 ↓

Analogs

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Popular Name: (3aR,6aS)-5-(3-chlorophenyl)-3-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]-3a,6a-dihydropyrrolo[3,4-d (3aR,6aS)-5-(3-chlorophenyl)-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) 2.86 6.56 -19.07 0 9 0 104 422.832 4 ↓

Analogs

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Popular Name: (3aS,6aS)-1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-3a,6a-dihydropyrrol (3aS,6aS)-1-[[3-(3-bromophenyl)-…

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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) 2.60 3.84 -13.77 0 10 0 114 483.282 5 ↓

Parameters Provided:

ring.id = 568086
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 = 568086 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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