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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-benzyl-2-(p-tolyl)benzo[h]quinazoline 4-benzyl-2-(p-tolyl)benzo[h]quin…

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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) 7.46 15.11 -11.54 0 2 0 26 360.46 3 ↓

Analogs

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Popular Name: N-[4-(benzo[h]quinazolin-6-ylamino)phenyl]methanesulfonamide N-[4-(benzo[h]quinazolin-6-ylami…

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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) 3.85 6.3 -45.59 1 6 -1 86 363.422 4 ↓
Mid Mid (pH 6-8) 3.85 6.13 -17.25 2 6 0 84 364.43 4 ↓

Analogs

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Popular Name: N'-benzo[h]quinazolin-6-yl-N,N-dimethyl-ethane-1,2-diamine N'-benzo[h]quinazolin-6-yl-N,N-d…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103205-3-O A431 (cluster #3 Of 4), Other Other 3600 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z103205 Z103205 A431 3600 0.38 Functional ≤ 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) 2.51 8.11 -49.7 2 4 1 42 267.356 4 ↓
Hi High (pH 8-9.5) 2.51 5.64 -8.22 1 4 0 41 266.348 4 ↓

Parameters Provided:

ring.id = 171558
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 = 171558 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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