Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_rpa10vt9e3vlu0ieu2j27ve5g6, 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: (4aR,4bR,6aR,7R,8R,10aR,10bS,12aS)-7,8-dihydroxy-10a,12a-dimethyl-2-oxo-4,4a,4b,5,6,6a,8,9,10,10b,11 (4aR,4bR,6aR,7R,8R,10aR,10bS,12a…

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) 2.57 3.91 -11.48 2 5 0 91 347.455 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,4bR,6aR,7S,8R,10aR,10bS,12aS)-7,8-dihydroxy-10a,12a-dimethyl-2-oxo-4,4a,4b,5,6,6a,8,9,10,10b,11 (4aR,4bR,6aR,7S,8R,10aR,10bS,12a…

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) 2.57 4.4 -13.14 2 5 0 91 347.455 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,4bS,6aR,7R,8R,10aR,10bS,12aS)-7,8-dihydroxy-10a,12a-dimethyl-2-oxo-4,4a,4b,5,6,6a,8,9,10,10b,11 (4aR,4bS,6aR,7R,8R,10aR,10bS,12a…

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) 2.57 4.77 -11 2 5 0 91 347.455 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,4bS,6aR,7S,8R,10aR,10bS,12aS)-7,8-dihydroxy-10a,12a-dimethyl-2-oxo-4,4a,4b,5,6,6a,8,9,10,10b,11 (4aR,4bS,6aR,7S,8R,10aR,10bS,12a…

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) 2.57 4.18 -13.79 2 5 0 91 347.455 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,4bR,6aR,7R,8R,10aR,10bS,12aS)-7,8-dihydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,1 (4aS,4bR,6aR,7R,8R,10aR,10bS,12a…

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 4.44 -8.56 2 4 0 67 322.445 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,4bR,6aR,7R,8R,10aR,10bS,12aS)-7,8-dihydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,1 (4aR,4bR,6aR,7R,8R,10aR,10bS,12a…

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 4.29 -8.35 2 4 0 67 322.445 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,4bS,6aR,7R,8R,10aR,10bS,12aS)-7,8-dihydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,1 (4aR,4bS,6aR,7R,8R,10aR,10bS,12a…

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 4.01 -8.91 2 4 0 67 322.445 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,4bR,6aR,7R,8R,10aR,10bR,12aS)-7,8-dihydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,1 (4aR,4bR,6aR,7R,8R,10aR,10bR,12a…

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 4.22 -9.69 2 4 0 67 322.445 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,4bS,6aR,7R,8R,10aR,10bR,12aS)-7,8-dihydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,1 (4aR,4bS,6aR,7R,8R,10aR,10bR,12a…

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 4.57 -8.88 2 4 0 67 322.445 0 ↓

Parameters Provided:

ring.id = 4008
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 = 4008 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=4008&filter.purchasability=annotated

Embed Link to Results