UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[[(2S)-3-[(1R)-1-(4-chlorophenyl)ethoxy]-2-hydroxy-propyl]-methyl-amino]methyl]quinazolin-4-ol 2-[[[(2S)-3-[(1R)-1-(4-chlorophe…

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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) 2.87 5.73 -23.5 2 6 0 78 401.894 8 ↓
Mid Mid (pH 6-8) 2.87 8.26 -54.43 3 6 1 80 402.902 8 ↓
Mid Mid (pH 6-8) 3.33 5.46 -55.76 2 6 0 83 401.894 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2S)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxy-propyl]-methyl-amino]methyl]quinazolin-4-ol 2-[[[(2S)-3-[(1S)-1-(4-chlorophe…

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) 2.87 5.75 -22.96 2 6 0 78 401.894 8 ↓
Mid Mid (pH 6-8) 3.33 5.49 -55.63 2 6 0 83 401.894 8 ↓
Mid Mid (pH 6-8) 2.87 8.29 -54.07 3 6 1 80 402.902 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2R)-3-[(1R)-1-(4-chlorophenyl)ethoxy]-2-hydroxy-propyl]-methyl-amino]methyl]quinazolin-4-ol 2-[[[(2R)-3-[(1R)-1-(4-chlorophe…

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) 2.87 5.7 -22.97 2 6 0 78 401.894 8 ↓
Mid Mid (pH 6-8) 3.33 5.57 -50.84 2 6 0 83 401.894 8 ↓
Mid Mid (pH 6-8) 2.87 8.27 -54 3 6 1 80 402.902 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxy-propyl]-methyl-amino]methyl]quinazolin-4-ol 2-[[[(2R)-3-[(1S)-1-(4-chlorophe…

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) 2.87 5.73 -23.49 2 6 0 78 401.894 8 ↓
Mid Mid (pH 6-8) 3.33 5.59 -50.74 2 6 0 83 401.894 8 ↓
Mid Mid (pH 6-8) 2.87 8.29 -54.34 3 6 1 80 402.902 8 ↓

Parameters Provided:

ring.id = 225763
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 = 225763 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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