Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_oqc9epj91p996o4k2rsh6l9be7, 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

18021764
18021764

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(2,5-difluorophenyl)thiazol-2-yl (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4…

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) 2.62 9.14 -13.93 1 6 0 79 417.437 4 ↓
Hi High (pH 8-9.5) 2.81 8.92 -47.76 0 6 -1 86 416.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(3,4-dimethylphenyl)thiazol-2-yl]acet 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a…

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) 3.23 9.71 -14.53 1 6 0 79 395.484 4 ↓
Hi High (pH 8-9.5) 3.05 8.8 -51.9 0 6 -1 86 394.476 4 ↓

Analogs

17953535
17953535

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-methoxyphenyl)thiazol-2-yl]pr (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4…

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) 2.43 8.12 -14.23 1 7 0 89 411.483 5 ↓
Hi High (pH 8-9.5) 2.61 8.19 -48.24 0 7 -1 95 410.475 5 ↓

Analogs

16050219
16050219

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-fluorophenyl)thiazol-2-yl]pro (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4…

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) 2.53 8.89 -13.15 1 6 0 79 399.447 4 ↓
Hi High (pH 8-9.5) 2.72 8.48 -45.02 0 6 -1 86 398.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-propylphenyl)thiazol-2-yl]acetamid 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a…

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 10.7 -13.99 1 6 0 79 409.511 6 ↓
Ref Reference (pH 7) 3.71 10.73 -14.47 1 6 0 79 409.511 6 ↓
Ref Reference (pH 7) 3.71 10.7 -13.97 1 6 0 79 409.511 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-methoxyphenyl)thiazol-2-yl]acetami 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a…

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) 2.46 7.78 -15.05 1 7 0 89 397.456 5 ↓
Hi High (pH 8-9.5) 2.28 6.23 -48.22 0 7 -1 95 396.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(3,4-difluorophenyl)thiazol-2-yl]acet 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a…

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) 2.66 8.6 -14.12 1 6 0 79 403.41 4 ↓
Hi High (pH 8-9.5) 2.48 7.59 -44.28 0 6 -1 86 402.402 4 ↓

Analogs

16005580
16005580

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-ethylphenyl)thiazol-2-yl]acetamide 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a…

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) 3.32 9.92 -14.1 1 6 0 79 395.484 5 ↓
Ref Reference (pH 7) 3.32 9.95 -14.59 1 6 0 79 395.484 5 ↓
Ref Reference (pH 7) 3.32 9.92 -14.06 1 6 0 79 395.484 5 ↓

Analogs

16050238
16050238

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(3,4-dimethylphenyl)thiazol-2-yl (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4…

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 10.04 -13.62 1 6 0 79 409.511 4 ↓
Hi High (pH 8-9.5) 3.38 10.21 -49.4 0 6 -1 86 408.503 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]a 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a…

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) 3.61 10.46 -13.7 1 6 0 79 409.511 4 ↓
Hi High (pH 8-9.5) 3.43 9.39 -50.52 0 6 -1 86 408.503 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-chlorophenyl)thiazol-2-yl]acetamid 2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a…

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) 3.08 9 -13.66 1 6 0 79 401.875 4 ↓
Ref Reference (pH 7) 3.08 9.03 -14.14 1 6 0 79 401.875 4 ↓
Ref Reference (pH 7) 3.08 9 -13.65 1 6 0 79 401.875 4 ↓

Parameters Provided:

ring.id = 104855
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 = 104855 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=104855&filter.purchasability=annotated

Embed Link to Results