UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[[(1S)-1-(2-thienyl)propyl]amino]methyl]-3H-quinazolin-4-one 2-[[[(1S)-1-(2-thienyl)propyl]am…

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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) 3.01 5.51 -21.39 2 4 0 58 299.399 5 ↓
Mid Mid (pH 6-8) 3.47 4.86 -44.27 2 4 0 65 299.399 5 ↓
Mid Mid (pH 6-8) 3.01 7.44 -46.37 3 4 1 62 300.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1R)-1-(2-thienyl)propyl]amino]methyl]-3H-quinazolin-4-one 2-[[[(1R)-1-(2-thienyl)propyl]am…

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) 3.01 5.52 -22.05 2 4 0 58 299.399 5 ↓
Mid Mid (pH 6-8) 3.01 7.43 -46.35 3 4 1 62 300.407 5 ↓
Mid Mid (pH 6-8) 3.47 4.86 -41.1 2 4 0 65 299.399 5 ↓

Parameters Provided:

ring.id = 579906
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 = 579906 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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