UCSF
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Analogs

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Popular Name: (9-butyl-1-methyl-pyrido[3,4-b]indol-3-yl)-thiomorpholino-methanone (9-butyl-1-methyl-pyrido[3,4-b]i…

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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) 4.38 11.53 -10.21 0 4 0 38 367.518 4 ↓
Mid Mid (pH 6-8) 4.38 11.87 -32.73 1 4 1 39 368.526 4 ↓

Analogs

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Popular Name: [1-methyl-9-(3-methylbut-2-enyl)pyrido[3,4-b]indol-3-yl]-thiomorpholino-methanone [1-methyl-9-(3-methylbut-2-enyl)…

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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) 4.62 12.05 -10.28 0 4 0 38 379.529 3 ↓
Mid Mid (pH 6-8) 4.62 12.21 -33.22 1 4 1 39 380.537 3 ↓

Analogs

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Popular Name: (1-methyl-9H-pyrido[3,4-b]indol-3-yl)-thiomorpholino-methanone (1-methyl-9H-pyrido[3,4-b]indol-…

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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) 2.88 8.03 -10.12 1 4 0 49 311.41 1 ↓
Mid Mid (pH 6-8) 2.88 8.14 -33.46 2 4 1 50 312.418 1 ↓

Analogs

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Popular Name: (1-methyl-9-prop-2-ynyl-pyrido[3,4-b]indol-3-yl)-thiomorpholino-methanone (1-methyl-9-prop-2-ynyl-pyrido[3…

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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) 3.10 10.8 -11.12 0 4 0 38 349.459 2 ↓
Mid Mid (pH 6-8) 3.10 10.96 -33.72 1 4 1 39 350.467 2 ↓

Parameters Provided:

ring.id = 188141
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 = 188141 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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