UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38741322
38741322

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-[(3R)-6-methyl-5-oxo- N-[5-tert-butyl-2-(4-oxo-5,6,7,8…

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) 3.71 10.96 -51.59 1 10 -1 131 494.601 5 ↓
Mid Mid (pH 6-8) 3.25 12.36 -19.24 2 10 0 128 495.609 5 ↓

Analogs

38741319
38741319

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-[(3S)-6-methyl-5-oxo- N-[5-tert-butyl-2-(4-oxo-5,6,7,8…

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) 3.71 10.85 -52.67 1 10 -1 131 494.601 5 ↓
Mid Mid (pH 6-8) 3.25 12.25 -18.77 2 10 0 128 495.609 5 ↓

Analogs

38741328
38741328

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-[(3S)-7-methyl-5-oxo- N-[5-tert-butyl-2-(4-oxo-5,6,7,8…

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) 3.72 10.89 -51.55 1 10 -1 131 494.601 5 ↓
Mid Mid (pH 6-8) 3.26 12.3 -19.45 2 10 0 128 495.609 5 ↓

Analogs

38741325
38741325

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-[(3R)-7-methyl-5-oxo- N-[5-tert-butyl-2-(4-oxo-5,6,7,8…

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) 3.72 10.77 -52.81 1 10 -1 131 494.601 5 ↓
Mid Mid (pH 6-8) 3.26 12.18 -19 2 10 0 128 495.609 5 ↓

Parameters Provided:

ring.id = 601699
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 = 601699 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=601699&filter.purchasability=annotated

Embed Link to Results