UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25464087
25464087

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-2-hydroxy-3-phenoxy-propyl]-2-methyl-pyrazolo[1,5-a]quinazolin-5-one 4-[(2R)-2-hydroxy-3-phenoxy-prop…

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 7.79 -12.98 1 6 0 69 349.39 5 ↓

Analogs

25464082
25464082

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-2-hydroxy-3-phenoxy-propyl]-2-methyl-pyrazolo[1,5-a]quinazolin-5-one 4-[(2S)-2-hydroxy-3-phenoxy-prop…

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 7.8 -13.1 1 6 0 69 349.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-4-(4-methyl-2-oxo-1H-quinolin-3-yl)pyrazolo[1,5-a]quinazolin-5-one 2-methyl-4-(4-methyl-2-oxo-1H-qu…

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) 3.36 9.79 -18.84 1 6 0 72 356.385 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-pyrazolo[1,5-a]quinazolin-5-one 4-[(2R)-2-hydroxy-2-[2-(trifluor…

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) 3.50 8.92 -16.51 1 5 0 60 387.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-methyl-5-oxo-pyrazolo[1,5-a]quinazolin-4-yl)methyl-propyl-amino]acetonitrile 2-[(2-methyl-5-oxo-pyrazolo[1,5-…

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) 2.52 7.85 -12.34 0 6 0 66 309.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-pyrazolo[1,5-a]quinazolin-5-one 4-[(2S)-2-hydroxy-2-[2-(trifluor…

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) 3.50 8.78 -9.08 1 5 0 60 387.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-4-[[(3R)-3-(morpholinomethyl)-1-piperidyl]methyl]pyrazolo[1,5-a]quinazolin-5-one 2-methyl-4-[[(3R)-3-(morpholinom…

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) 2.50 9.15 -43.2 1 7 1 56 396.515 4 ↓
Mid Mid (pH 6-8) 2.50 8.98 -44.35 1 7 1 56 396.515 4 ↓
Mid Mid (pH 6-8) 2.50 6.99 -11.67 0 7 0 55 395.507 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-4-[[(3S)-3-(morpholinomethyl)-1-piperidyl]methyl]pyrazolo[1,5-a]quinazolin-5-one 2-methyl-4-[[(3S)-3-(morpholinom…

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) 2.50 9.6 -43.62 1 7 1 56 396.515 4 ↓
Mid Mid (pH 6-8) 2.50 9.35 -47.81 1 7 1 56 396.515 4 ↓
Mid Mid (pH 6-8) 2.50 7.32 -11.12 0 7 0 55 395.507 4 ↓

Parameters Provided:

ring.id = 147862
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 = 147862 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=147862&filter.purchasability=annotated

Embed Link to Results