Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_chggujf6ntrsu4og9h8cgae3n7, 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: (3aR,5aS,6Z,8S,9R,9aR,9bR)-8,9-dihydroxy-6-isobutoxyimino-2-[(1S)-1-phenylethyl]-4,5,5a,7,8,9,9a,9b- (3aR,5aS,6Z,8S,9R,9aR,9bR)-8,9-d…

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 8.06 -12.41 2 7 0 99 428.529 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,5aS,6Z,8R,9R,9aR,9bR)-8,9-dihydroxy-6-isobutoxyimino-2-[(1S)-1-phenylethyl]-4,5,5a,7,8,9,9a,9b- (3aR,5aS,6Z,8R,9R,9aR,9bR)-8,9-d…

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 8.1 -9.9 2 7 0 99 428.529 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,5aS,6Z,8S,9S,9aR,9bR)-8,9-dihydroxy-6-isobutoxyimino-2-[(1S)-1-phenylethyl]-4,5,5a,7,8,9,9a,9b- (3aR,5aS,6Z,8S,9S,9aR,9bR)-8,9-d…

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 6.18 -10.6 2 7 0 99 428.529 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,5aS,6Z,8R,9S,9aR,9bR)-8,9-dihydroxy-6-isobutoxyimino-2-[(1S)-1-phenylethyl]-4,5,5a,7,8,9,9a,9b- (3aR,5aS,6Z,8R,9S,9aR,9bR)-8,9-d…

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 6.56 -9.13 2 7 0 99 428.529 5 ↓

Analogs

8035782
8035782

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,5aS,6Z,8R,9R,9aR,9bR)-2-benzyl-8,9-dihydroxy-6-pent-4-ynoxyimino-4,5,5a,7,8,9,9a,9b-octahydro-3 (3aR,5aS,6Z,8R,9R,9aR,9bR)-2-ben…

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) 1.57 7.96 -10.2 2 7 0 99 424.497 6 ↓

Analogs

8035782
8035782

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,5aS,6Z,8S,9S,9aR,9bR)-2-benzyl-8,9-dihydroxy-6-pent-4-ynoxyimino-4,5,5a,7,8,9,9a,9b-octahydro-3 (3aR,5aS,6Z,8S,9S,9aR,9bR)-2-ben…

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) 1.57 6.05 -11.06 2 7 0 99 424.497 6 ↓

Analogs

8035782
8035782

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,5aS,6Z,8R,9S,9aR,9bR)-2-benzyl-8,9-dihydroxy-6-pent-4-ynoxyimino-4,5,5a,7,8,9,9a,9b-octahydro-3 (3aR,5aS,6Z,8R,9S,9aR,9bR)-2-ben…

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) 1.57 6.42 -9.92 2 7 0 99 424.497 6 ↓

Parameters Provided:

ring.id = 479506
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 = 479506 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=479506&filter.purchasability=annotated

Embed Link to Results