UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine N-[[(2R)-tetrahydrofuran-2-yl]me…

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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) 3.12 6.56 -26.01 2 3 1 35 287.408 3 ↓
Hi High (pH 8-9.5) 3.12 6.18 -8.33 1 3 0 34 286.4 3 ↓

Analogs

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Popular Name: N-[3-(1,3-dihydrothieno[3,4-b]quinolin-9-ylamino)propyl]formamide N-[3-(1,3-dihydrothieno[3,4-b]qu…

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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) 2.18 4.64 -34.68 3 4 1 55 288.396 5 ↓
Hi High (pH 8-9.5) 2.18 4.26 -15.65 2 4 0 54 287.388 5 ↓

Analogs

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Popular Name: 3-(1,3-dihydrothieno[3,4-b]quinolin-9-ylamino)phenol 3-(1,3-dihydrothieno[3,4-b]quino…

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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) 4.37 6.6 -31.08 3 3 1 46 295.387 2 ↓
Mid Mid (pH 6-8) 4.37 6.21 -7.15 2 3 0 45 294.379 2 ↓

Analogs

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Popular Name: 4-(1,3-dihydrothieno[3,4-b]quinolin-9-ylamino)phenol 4-(1,3-dihydrothieno[3,4-b]quino…

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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) 4.40 6.59 -31.09 3 3 1 46 295.387 2 ↓
Mid Mid (pH 6-8) 4.40 6.21 -7.6 2 3 0 45 294.379 2 ↓

Parameters Provided:

ring.id = 532424
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 = 532424 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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