Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_481crfuu2hnibljn2gmcl81ed1, 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: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic 2-[[5-(1-adamantyl)-1,3,4-oxadia…

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) 2.32 3.28 -43.48 0 5 -1 79 293.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-adamantyl)-5-[(1S)-1-bromopropyl]-1,3,4-oxadiazole 2-(1-adamantyl)-5-[(1S)-1-bromop…

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) 3.47 5.12 -5.37 0 3 0 39 325.25 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-adamantyl)-5-[(1R)-1-bromopropyl]-1,3,4-oxadiazole 2-(1-adamantyl)-5-[(1R)-1-bromop…

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) 3.47 5.11 -5.33 0 3 0 39 325.25 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(1-adamantyl)-1,3,4-ox…

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) 0.27 1.88 -42.62 3 4 1 67 262.377 3 ↓
Hi High (pH 8-9.5) 0.27 1.55 -4.73 2 4 0 65 261.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(1-adamantyl)-1,3,4-ox…

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) 0.27 1.87 -42.7 3 4 1 67 262.377 3 ↓
Hi High (pH 8-9.5) 0.27 1.53 -6.04 2 4 0 65 261.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]propanoic 3-[5-(1-adamantyl)-1,3,4-oxadiaz…

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) 1.60 4.46 -43.58 0 5 -1 79 275.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]butanoic 4-[5-(1-adamantyl)-1,3,4-oxadiaz…

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) 1.87 5.24 -48.86 0 5 -1 79 289.355 5 ↓

Parameters Provided:

ring.id = 72771
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 = 72771 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=72771&filter.purchasability=annotated

Embed Link to Results