UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide N-[(1R)-1-(3,4-difluorophenyl)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) 3.74 9.86 -16.76 1 6 0 78 375.375 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide N-[(1S)-1-(3,4-difluorophenyl)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) 3.74 9.87 -19.93 1 6 0 78 375.375 5 ↓

Analogs

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Popular Name: N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide N-[[4-[(1S)-1-hydroxyethyl]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) 2.49 8.11 -15.01 2 7 0 98 369.421 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide N-[[4-[(1R)-1-hydroxyethyl]pheny…

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) 2.49 8.07 -15.42 2 7 0 98 369.421 6 ↓

Parameters Provided:

ring.id = 45006
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 = 45006 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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