Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_osp796q2heqc2hrufuk8lukuh4, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide N-[[4-(difluoromethoxy)phenyl]me…

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) 2.69 9.95 -18.34 0 6 0 64 387.386 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide N-[(4-methoxyphenyl)methyl]-N-me…

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) 2.13 9.67 -15.78 0 6 0 64 351.406 6 ↓

Analogs

25398321
25398321

Draw Identity 99% 90% 80% 70%

Popular Name: N-(o-tolylmethyl)-3-(4-oxoquinazolin-3-yl)propanamide N-(o-tolylmethyl)-3-(4-oxoquinaz…

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) 2.23 8.91 -15.25 1 5 0 64 321.38 5 ↓

Analogs

13009141
13009141
16470259
16470259
16470260
16470260

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3-(8-methyl-4-oxo-quinazolin-3-yl)propanamide N-[(1R)-1-(4-methoxyphenyl)ethyl…

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) 3.09 11.44 -15.87 0 6 0 64 379.46 6 ↓

Analogs

16470259
16470259
16470260
16470260
13009139
13009139

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methyl-3-(8-methyl-4-oxo-quinazolin-3-yl)propanamide N-[(1S)-1-(4-methoxyphenyl)ethyl…

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) 3.09 10.7 -16.99 0 6 0 64 379.46 6 ↓

Analogs

13011130
13011130

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-3-(8-methyl-4-oxo-quinazolin-3-yl)-N-sec-butyl-propanamide N-benzyl-3-(8-methyl-4-oxo-quina…

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) 3.68 13.7 -13.06 0 5 0 55 377.488 7 ↓

Analogs

13011129
13011129

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-3-(8-methyl-4-oxo-quinazolin-3-yl)-N-sec-butyl-propanamide N-benzyl-3-(8-methyl-4-oxo-quina…

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) 3.68 13.53 -14.66 0 5 0 55 377.488 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-hydroxyphenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide N-[(2-hydroxyphenyl)methyl]-N-me…

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) 2.01 8.99 -14.73 1 6 0 75 337.379 5 ↓
Hi High (pH 8-9.5) 2.01 9.99 -55.88 0 6 -1 78 336.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-3-(7-fluoro-4-oxo-quinazolin-3-yl)propanamide N-[(2-chlorophenyl)methyl]-3-(7-…

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) 2.60 8.74 -12.77 1 5 0 64 359.788 5 ↓

Analogs

16469733
16469733

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-fluorophenyl)methyl]-3-(8-methyl-4-oxo-quinazolin-3-yl)propanamide N-[(2-fluorophenyl)methyl]-3-(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) 2.34 9.12 -16.32 1 5 0 64 339.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(8-methyl-4-oxo-quinazolin-3-yl)-N-(p-tolylmethyl)propanamide 3-(8-methyl-4-oxo-quinazolin-3-y…

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) 2.68 9.77 -14.21 1 5 0 64 335.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(3-nitrophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide N-allyl-N-[(3-nitrophenyl)methyl…

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) 2.65 12.6 -21.84 0 8 0 101 392.415 8 ↓

Parameters Provided:

ring.id = 50021
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 = 50021 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=50021&filter.purchasability=annotated

Embed Link to Results