UCSF
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Analogs

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Popular Name: N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxothiazolidin-3-yl)propanamide N-[(R)-(3-methoxyphenyl)-(1-meth…

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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) 1.34 6.3 -20.69 1 7 0 76 374.466 7 ↓
Lo Low (pH 4.5-6) 1.34 7.6 -40.76 2 7 1 78 375.474 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxothiazolidin-3-yl)propanamide N-[(S)-(3-methoxyphenyl)-(1-meth…

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) 1.34 6.3 -18.63 1 7 0 76 374.466 7 ↓
Lo Low (pH 4.5-6) 1.34 6.88 -45.38 2 7 1 78 375.474 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxothiazolidin-3-yl)propanamide N-[(R)-(2-methoxyphenyl)-(1-meth…

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) 1.32 6.57 -21.23 1 7 0 76 374.466 7 ↓
Lo Low (pH 4.5-6) 1.32 7.79 -38.48 2 7 1 78 375.474 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxothiazolidin-3-yl)propanamide N-[(S)-(2-methoxyphenyl)-(1-meth…

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) 1.32 6.49 -19.04 1 7 0 76 374.466 7 ↓
Lo Low (pH 4.5-6) 1.32 7.13 -42.92 2 7 1 78 375.474 7 ↓

Parameters Provided:

ring.id = 46483
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 = 46483 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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