Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_druf599nva7e28a1cgcdicskk6, 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: (2R,3S,4R)-3-[(E,4R)-4-cyclopropyl-4-hydroxy-oct-1-enyl]-4-hydroxy-2-[(E)-7-hydroxyhept-2-enyl]cyclo (2R,3S,4R)-3-[(E,4R)-4-cycloprop…

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) 3.69 6.03 -9.12 3 4 0 78 378.553 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4R)-3-[(E,4S)-4-cyclopropyl-4-hydroxy-oct-1-enyl]-4-hydroxy-2-[(E)-7-hydroxyhept-2-enyl]cyclo (2R,3S,4R)-3-[(E,4S)-4-cycloprop…

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) 3.69 6.5 -8.53 3 4 0 78 378.553 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4R)-3-[(E,4R)-4-cyclopropyl-4-hydroxy-oct-1-enyl]-4-hydroxy-2-[(E)-7-hydroxyhept-2-enyl]cyclo (2R,3R,4R)-3-[(E,4R)-4-cycloprop…

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) 3.69 6.12 -8.74 3 4 0 78 378.553 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4R)-3-[(E,4S)-4-cyclopropyl-4-hydroxy-oct-1-enyl]-4-hydroxy-2-[(E)-7-hydroxyhept-2-enyl]cyclo (2R,3R,4R)-3-[(E,4S)-4-cycloprop…

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) 3.69 6.31 -8.51 3 4 0 78 378.553 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4R)-3-[(E,4R)-4-cyclopropyl-4-hydroxy-oct-1-enyl]-4-hydroxy-2-(7-hydroxyheptyl)cyclopentanone (2R,3S,4R)-3-[(E,4R)-4-cycloprop…

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) 4.18 6.19 -8.87 3 4 0 78 380.569 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4R)-3-[(E,4S)-4-cyclopropyl-4-hydroxy-oct-1-enyl]-4-hydroxy-2-(7-hydroxyheptyl)cyclopentanone (2R,3S,4R)-3-[(E,4S)-4-cycloprop…

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) 4.18 6.66 -8.1 3 4 0 78 380.569 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4R)-3-[(E,4R)-4-cyclopropyl-4-hydroxy-oct-1-enyl]-4-hydroxy-2-(7-hydroxyheptyl)cyclopentanone (2R,3R,4R)-3-[(E,4R)-4-cycloprop…

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) 4.18 6.28 -8.46 3 4 0 78 380.569 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4R)-3-[(E,4S)-4-cyclopropyl-4-hydroxy-oct-1-enyl]-4-hydroxy-2-(7-hydroxyheptyl)cyclopentanone (2R,3R,4R)-3-[(E,4S)-4-cycloprop…

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) 4.18 6.47 -8.2 3 4 0 78 380.569 14 ↓

Parameters Provided:

ring.id = 197005
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 = 197005 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=197005&filter.purchasability=annotated

Embed Link to Results