UCSF
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Analogs

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(2H-indol-3-yl)ethyl]-4-(dimethylsulfamoyl)benzamide N-[(2R)-2-(4-dimethylaminophenyl…

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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) 4.16 8.27 -44.16 2 7 1 84 491.637 8 ↓
Lo Low (pH 4.5-6) 4.16 9.06 -53.25 3 7 0 85 492.645 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(2H-indol-3-yl)ethyl]-4-(dimethylsulfamoyl)benzamide N-[(2S)-2-(4-dimethylaminophenyl…

Find On: PubMed — Wikipedia — Google

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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) 4.16 8.27 -45.15 2 7 1 84 491.637 8 ↓
Lo Low (pH 4.5-6) 4.16 9.06 -51.89 3 7 0 85 492.645 8 ↓

Parameters Provided:

ring.id = 335619
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 = 335619 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=335619&filter.purchasability=annotated

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