Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_231ua7u4jqdjhulrcfkrlreij0, 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-fluoro-3-pyridyl)-(3-furyl)methanone (5-fluoro-3-pyridyl)-(3-furyl)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) 1.41 4.11 -7.61 0 3 0 43 191.161 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-5-methyl-3-pyridyl)-(3-furyl)methanone (2-amino-5-methyl-3-pyridyl)-(3-…

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) 1.30 3.75 -8.22 2 4 0 69 202.213 2 ↓
Lo Low (pH 4.5-6) 1.30 4.21 -36.75 3 4 1 70 203.221 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-furyl-(6-methyl-3-pyridyl)methanone 3-furyl-(6-methyl-3-pyridyl)meth…

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) 1.16 4.67 -10.98 0 3 0 43 187.198 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-3-pyridyl)-(3-furyl)methanone (2-amino-3-pyridyl)-(3-furyl)met…

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) 0.88 3.1 -8.54 2 4 0 69 188.186 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-4-methyl-3-pyridyl)-(3-furyl)methanone (2-amino-4-methyl-3-pyridyl)-(3-…

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) 1.25 3.7 -8.89 2 4 0 69 202.213 2 ↓
Lo Low (pH 4.5-6) 1.25 4.17 -37.64 3 4 1 70 203.221 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-3-pyridyl)-(3-furyl)methanone (4-amino-3-pyridyl)-(3-furyl)met…

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 2.7 -38.2 3 4 1 70 189.194 2 ↓
Mid Mid (pH 6-8) 0.51 2.21 -9.26 2 4 0 69 188.186 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-5-chloro-3-pyridyl)-(3-furyl)methanone (2-amino-5-chloro-3-pyridyl)-(3-…

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) 1.70 3.61 -7.17 2 4 0 69 222.631 2 ↓

Parameters Provided:

ring.id = 2844
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 = 2844 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=2844&filter.purchasability=annotated

Embed Link to Results