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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: 4-(imidazol-1-ylmethyl)-6-methyl-chromen-2-one 4-(imidazol-1-ylmethyl)-6-methyl…

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) 2.02 3.13 -15.66 0 4 0 48 240.262 2 ↓
Mid Mid (pH 6-8) 2.02 3.41 -47.35 1 4 1 49 241.27 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-hydroxy-4-(imidazol-1-ylmethyl)chromen-2-one 7-hydroxy-4-(imidazol-1-ylmethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP19A-3-E Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic Eukaryotes 3750 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 3750 0.42 Binding ≤ 10μM

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) 1.09 6.57 -52.56 2 5 1 70 243.242 2 ↓
Hi High (pH 8-9.5) 1.09 6.83 -47.85 0 5 -1 71 241.226 2 ↓
Mid Mid (pH 6-8) 1.09 6.06 -17.34 1 5 0 68 242.234 2 ↓

Parameters Provided:

ring.id = 40508
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 = 40508 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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