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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11535814
11535814

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Popular Name: [(2R)-6-chloro-4-methyl-2,3-dihydrofuro[4,5-c]quinolin-2-yl]methanol [(2R)-6-chloro-4-methyl-2,3-dihy…

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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) 2.62 -2.9 -10.58 1 3 0 42 249.697 1 ↓
Mid Mid (pH 6-8) 2.62 -2.79 -26.69 2 3 1 44 250.705 1 ↓

Analogs

11535813
11535813

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Popular Name: [(2S)-6-chloro-4-methyl-2,3-dihydrofuro[4,5-c]quinolin-2-yl]methanol [(2S)-6-chloro-4-methyl-2,3-dihy…

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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) 2.62 -2.9 -10.59 1 3 0 42 249.697 1 ↓
Mid Mid (pH 6-8) 2.62 -2.79 -26.7 2 3 1 44 250.705 1 ↓

Analogs

2317134
2317134

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Popular Name: bromo-(bromomethyl)-methyl-BLAH bromo-(bromomethyl)-methyl-BLAH

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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) 4.15 7.85 -33.11 1 2 1 23 358.053 1 ↓
Hi High (pH 8-9.5) 4.15 7.46 -7.8 0 2 0 22 357.045 1 ↓

Parameters Provided:

ring.id = 40507
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 = 40507 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=40507&filter.purchasability=annotated

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