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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R,3R)-N-benzyloxy-7-chloro-3-imidazol-1-yl-2-methyl-chroman-4-imine (2R,3R)-N-benzyloxy-7-chloro-3-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) 3.95 11.75 -7.61 0 5 0 49 367.836 4 ↓
Lo Low (pH 4.5-6) 3.95 12.6 -32.16 1 5 1 50 368.844 4 ↓

Analogs

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Popular Name: (2R,3S)-N-benzyloxy-7-chloro-3-imidazol-1-yl-2-methyl-chroman-4-imine (2R,3S)-N-benzyloxy-7-chloro-3-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) 3.95 12.2 -4.77 0 5 0 49 367.836 4 ↓
Lo Low (pH 4.5-6) 3.95 12.9 -31.73 1 5 1 50 368.844 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-N-benzyloxy-7-chloro-3-imidazol-1-yl-2-methyl-chroman-4-imine (2S,3S)-N-benzyloxy-7-chloro-3-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) 3.95 11.75 -7.64 0 5 0 49 367.836 4 ↓
Lo Low (pH 4.5-6) 3.95 12.6 -32.13 1 5 1 50 368.844 4 ↓

Parameters Provided:

ring.id = 482591
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 = 482591 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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