UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5774677
5774677
5774678
5774678
5774681
5774681
37791892
37791892
37791893
37791893

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Popular Name: 2-[(4-phenoxyanilino)carbonyl]cyclopropanecarboxylic acid 2-[(4-phenoxyanilino)carbonyl]cy…

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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) 3.22 0.1 -52.15 1 5 -1 78 296.302 5 ↓

Analogs

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Popular Name: (1S,2R)-2-methyl-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclopropanecarboxamide (1S,2R)-2-methyl-N-[4-(4-methyls…

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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) 3.22 6.08 -15.51 1 5 0 72 345.42 5 ↓

Analogs

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Popular Name: (1S,2S)-2-methyl-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclopropanecarboxamide (1S,2S)-2-methyl-N-[4-(4-methyls…

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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) 3.22 6.04 -16.02 1 5 0 72 345.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclopropanecarboxamide (1R,2R)-2-methyl-N-[4-(4-methyls…

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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) 3.22 6.04 -16.06 1 5 0 72 345.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclopropanecarboxamide (1R,2S)-2-methyl-N-[4-(4-methyls…

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) 3.22 6.08 -17.35 1 5 0 72 345.42 5 ↓

Parameters Provided:

ring.id = 84845
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 = 84845 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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