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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(Z)-benzyliminomethyl]naphthalen-2-ol 1-[(Z)-benzyliminomethyl]naphtha…

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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) 4.27 6.49 -7.05 1 2 0 33 261.324 3 ↓

Analogs

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Popular Name: 4-[(1S)-1-[(Z)-(2-hydroxy-1-naphthyl)methyleneamino]ethyl]-N-methyl-benzenesulfonamide 4-[(1S)-1-[(Z)-(2-hydroxy-1-naph…

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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) 3.90 4.62 -46.46 3 5 1 80 369.466 5 ↓
Hi High (pH 8-9.5) 3.90 4.56 -12.64 2 5 0 79 368.458 5 ↓
Hi High (pH 8-9.5) 3.90 5.35 -51.66 1 5 -1 82 367.45 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-[(Z)-(2-hydroxy-1-naphthyl)methyleneamino]ethyl]-N-methyl-benzenesulfonamide 4-[(1R)-1-[(Z)-(2-hydroxy-1-naph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.90 4.66 -45.62 3 5 1 80 369.466 5 ↓
Hi High (pH 8-9.5) 3.90 5.35 -53.25 1 5 -1 82 367.45 5 ↓
Hi High (pH 8-9.5) 3.90 4.57 -12.68 2 5 0 79 368.458 5 ↓

Parameters Provided:

ring.id = 134998
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 = 134998 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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