UCSF
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Analogs

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Popular Name: methyl methyl

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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) 2.91 7.07 -16.59 2 6 0 74 377.444 5 ↓
Mid Mid (pH 6-8) 2.91 9.32 -57.77 3 6 1 76 378.452 5 ↓

Analogs

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Popular Name: 2-methoxy-6-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]phenol 2-methoxy-6-[(8-methoxy-1,3,4,5-…

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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) 3.15 7.09 -43.37 3 5 1 59 339.415 4 ↓
Mid Mid (pH 6-8) 3.15 4.71 -10.69 2 5 0 58 338.407 4 ↓

Analogs

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Popular Name: 2-[2-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]phenoxy]acetamide 2-[2-[(8-fluoro-1,3,4,5-tetrahyd…

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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) 1.48 8.01 -41.48 4 5 1 73 354.405 5 ↓
Mid Mid (pH 6-8) 1.48 5.72 -17.02 3 5 0 71 353.397 5 ↓

Parameters Provided:

ring.id = 377968
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 = 377968 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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