Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_iv1bdvs247u4h9g190ipiphb44, 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: (3aS,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole (3aS,7aS)-2,2-dimethyl-3a,4,5,6,…

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) 2.33 4.32 -2.84 0 2 0 18 156.225 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,7aR)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole (3aR,7aR)-2,2-dimethyl-3a,4,5,6,…

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) 2.33 4.32 -2.88 0 2 0 18 156.225 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole (3aR,7aS)-2,2-dimethyl-3a,4,5,6,…

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) 2.33 4.3 -2.85 0 2 0 18 156.225 0 ↓

Analogs

14555929
14555929
15206056
15206056
15206060
15206060
15206064
15206064
15206067
15206067

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4R,5R,6S,7S,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4,5,6,7-tetrol (3aS,4R,5R,6S,7S,7aS)-2,2-dimeth…

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) -0.93 -5.93 -12.7 4 6 0 99 220.221 0 ↓

Analogs

15206056
15206056
15206060
15206060
15206064
15206064
15206067
15206067
22061577
22061577

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4R,5R,6S,7R,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4,5,6,7-tetrol (3aS,4R,5R,6S,7R,7aS)-2,2-dimeth…

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) -0.93 -7.23 -10.88 4 6 0 99 220.221 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4-(cyclopropylmethoxy)-6,7-dihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzod (E)-N-[(3aS,4R,5R,6S,7R,7aR)-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) 2.36 5.01 -15.83 3 8 0 106 501.498 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[(3aS,4R,5R,6R,7aR)-4,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[2,5-difluor (E)-N-[(3aS,4R,5R,6R,7aR)-4,6-di…

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 2.22 -15.94 3 7 0 97 431.407 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-6,7-dihydroxy-4-methoxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3 (E)-N-[(3aS,4R,5R,6S,7R,7aR)-6,7…

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) 1.49 2.46 -15.99 3 8 0 106 461.433 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[2,5-d (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6…

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) 0.96 0.06 -17.51 4 8 0 117 447.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[2,5-d (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6…

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) 0.96 0.06 -15.22 4 8 0 117 447.406 6 ↓

Parameters Provided:

ring.id = 140254
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 = 140254 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=140254&filter.purchasability=annotated

Embed Link to Results