UCSF
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Analogs

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Popular Name: 3-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile 3-(1-Methyl-1,2,3,6-tetrahydropy…

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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) 2.21 7.5 -102.57 2 3 2 42 239.322 1 ↓
Mid Mid (pH 6-8) 2.21 5.07 -38.92 1 3 1 41 238.314 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,2,3,6-Tetrahydropyridin-4-yl)-1H-indole 3-(1,2,3,6-Tetrahydropyridin-4-y…

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) 1.88 4.87 -93.48 3 2 2 31 200.285 1 ↓
Hi High (pH 8-9.5) 1.88 3.5 -27.25 2 2 1 26 199.277 1 ↓

Parameters Provided:

ring.id = 254151
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 = 254151 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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