Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_b86upr4hcs3gcfque06dpdvdk6, 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: [5-methyl-3-(3-pyridyl)isoxazol-4-yl]methanol [5-methyl-3-(3-pyridyl)isoxazol-…

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) 0.51 1.39 -10.86 1 4 0 59 190.202 2 ↓
Lo Low (pH 4.5-6) 0.51 1.85 -39.13 2 4 1 60 191.21 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxy-3-pyridyl)-4-methyl-isoxazol-5-amine 3-(2-methoxy-3-pyridyl)-4-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) 1.19 -0.44 -12.53 2 5 0 74 205.217 2 ↓
Lo Low (pH 4.5-6) 1.19 -0.53 -27.07 3 5 1 75 206.225 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxy-3-pyridyl)isoxazol-5-amine 3-(2-methoxy-3-pyridyl)isoxazol-…

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) 0.81 -0.91 -12.92 2 5 0 74 191.19 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-(2-methoxy-3-pyridyl)isoxazol-5-amine 4-ethyl-3-(2-methoxy-3-pyridyl)i…

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) 1.65 0.2 -12.44 2 5 0 74 219.244 3 ↓
Lo Low (pH 4.5-6) 1.65 0.17 -26.96 3 5 1 75 220.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isobutyl-3-(2-methoxy-3-pyridyl)isoxazol-5-amine 4-isobutyl-3-(2-methoxy-3-pyridy…

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) 2.04 1.67 -11.98 2 5 0 74 247.298 4 ↓
Lo Low (pH 4.5-6) 2.04 1.46 -27.19 3 5 1 75 248.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(3-pyridyl)isoxazol-5-yl]methanesulfonamide N-[3-(3-pyridyl)isoxazol-5-yl]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) 0.38 -1.1 -45.85 0 6 -1 87 238.248 3 ↓
Lo Low (pH 4.5-6) 0.38 -0.7 -13.54 1 6 0 85 239.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-3-(3-pyridyl)isoxazole-4-carboxylic 5-ethyl-3-(3-pyridyl)isoxazole-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) 1.32 5.19 -45.55 0 5 -1 79 217.204 3 ↓
Lo Low (pH 4.5-6) 1.32 5.73 -47.11 1 5 0 80 218.212 3 ↓

Parameters Provided:

ring.id = 25297
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 = 25297 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=25297&filter.purchasability=annotated

Embed Link to Results