Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_bl168707sffp4j4sfds7obfkq6, 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: 3-[3-[(2-chloro-4-fluoro-phenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine 3-[3-[(2-chloro-4-fluoro-phenyl)…

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) 3.06 5.82 -12.19 1 4 0 63 309.753 3 ↓
Mid Mid (pH 6-8) 3.64 4.88 -8.65 2 4 0 65 309.753 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(1-methyl-1-phenyl-ethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine 3-[3-(1-methyl-1-phenyl-ethyl)-1…

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) 2.72 6.02 -12.29 1 4 0 63 285.372 3 ↓
Mid Mid (pH 6-8) 3.30 5.09 -8.6 2 4 0 65 285.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine 3-[3-[(3,5-difluorophenyl)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) 2.55 5.43 -12.39 1 4 0 63 293.298 3 ↓
Mid Mid (pH 6-8) 3.13 4.49 -8.08 2 4 0 65 293.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethyl-thiophen-2-amine 3-[3-[(4-bromophenyl)methyl]-1,2…

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) 4.01 6.37 -10.93 1 4 0 63 364.268 3 ↓
Mid Mid (pH 6-8) 4.28 6.88 -8.43 2 4 0 65 364.268 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethyl-thiophen-2-amine 3-[3-[(3-chlorophenyl)methyl]-1,…

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) 3.86 6.25 -11.05 1 4 0 63 319.817 3 ↓
Mid Mid (pH 6-8) 4.12 6.77 -9.28 2 4 0 65 319.817 3 ↓

Analogs

44265451
44265451
53133227
53133227

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine 3-[3-[(3-chlorophenyl)methyl]-1,…

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) 2.95 5.81 -12.13 1 4 0 63 291.763 3 ↓
Mid Mid (pH 6-8) 3.53 4.86 -8.44 2 4 0 65 291.763 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethyl-thiophen-2-amine 3-[3-[(4-fluorophenyl)methyl]-1,…

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) 3.37 5.81 -11.51 1 4 0 63 303.362 3 ↓
Mid Mid (pH 6-8) 3.63 6.32 -9.1 2 4 0 65 303.362 3 ↓

Analogs

44265451
44265451
53133227
53133227

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine 3-[3-[(4-fluorophenyl)methyl]-1,…

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 5.37 -12.46 1 4 0 63 275.308 3 ↓
Mid Mid (pH 6-8) 3.04 4.42 -8.45 2 4 0 65 275.308 3 ↓

Parameters Provided:

ring.id = 147876
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 = 147876 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=147876&filter.purchasability=annotated

Embed Link to Results