Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_09f8hbo5s4dl501qnnblath5q2, 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: (2R)-3-phenyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (2R)-3-phenyl-2-(thiadiazol-4-yl…

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) 3.15 6.75 -18.88 1 5 0 58 308.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-phenyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (2S)-3-phenyl-2-(thiadiazol-4-yl…

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) 3.15 6.75 -18.97 1 5 0 58 308.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(2,4-dimethoxyphenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (2R)-3-(2,4-dimethoxyphenyl)-2-(…

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) 3.19 6.36 -18.82 1 7 0 77 368.418 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2,4-dimethoxyphenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (2S)-3-(2,4-dimethoxyphenyl)-2-(…

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) 3.19 5.69 -19.36 1 7 0 77 368.418 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(4-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (2R)-3-(4-chlorophenyl)-2-(thiad…

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) 3.82 7.26 -17.6 1 5 0 58 342.811 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(4-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (2S)-3-(4-chlorophenyl)-2-(thiad…

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) 3.82 7.26 -17.64 1 5 0 58 342.811 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (2R)-3-(4-fluorophenyl)-2-(thiad…

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) 3.31 6.8 -18.02 1 5 0 58 326.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (2S)-3-(4-fluorophenyl)-2-(thiad…

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) 3.31 6.8 -18.01 1 5 0 58 326.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (2R)-3-(3-chlorophenyl)-2-(thiad…

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) 3.80 7.27 -16.47 1 5 0 58 342.811 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (2S)-3-(3-chlorophenyl)-2-(thiad…

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) 3.80 7.27 -20.09 1 5 0 58 342.811 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(2-chlorophenyl)-1-methyl-2-(thiadiazol-4-yl)-2H-quinazolin-4-one (2R)-3-(2-chlorophenyl)-1-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) 4.02 9.48 -17.51 0 5 0 49 356.838 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2-chlorophenyl)-1-methyl-2-(thiadiazol-4-yl)-2H-quinazolin-4-one (2S)-3-(2-chlorophenyl)-1-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) 4.02 9.54 -17.09 0 5 0 49 356.838 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(2-methoxyphenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (2R)-3-(2-methoxyphenyl)-2-(thia…

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) 3.15 7.07 -17.88 1 6 0 67 338.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2-methoxyphenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (2S)-3-(2-methoxyphenyl)-2-(thia…

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) 3.15 6.39 -19.44 1 6 0 67 338.392 3 ↓

Parameters Provided:

ring.id = 138623
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 = 138623 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=138623&filter.purchasability=annotated

Embed Link to Results