Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_qc921l0q8qtguoa4q8i2pnb0h6, 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

19727052
19727052

Draw Identity 99% 90% 80% 70%

Popular Name: (10R)-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-ol (10R)-3,6,7,8,9,10-hexahydro-2H-…

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) 1.90 3.47 -9.28 1 3 0 39 220.268 0 ↓

Analogs

19727051
19727051

Draw Identity 99% 90% 80% 70%

Popular Name: (10S)-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-ol (10S)-3,6,7,8,9,10-hexahydro-2H-…

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) 1.90 3.47 -9.24 1 3 0 39 220.268 0 ↓

Analogs

19727128
19727128

Draw Identity 99% 90% 80% 70%

Popular Name: (10R)-10-chloro-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxine (10R)-10-chloro-3,6,7,8,9,10-hex…

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) 3.27 6.88 -5.29 0 2 0 18 238.714 0 ↓

Analogs

19727127
19727127

Draw Identity 99% 90% 80% 70%

Popular Name: (10S)-10-chloro-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxine (10S)-10-chloro-3,6,7,8,9,10-hex…

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) 3.27 6.88 -5.25 0 2 0 18 238.714 0 ↓

Analogs

19727308
19727308

Draw Identity 99% 90% 80% 70%

Popular Name: (10R)-10-(aminomethyl)-2,3,6,7,8,9-hexahydrocyclohepta[g][1,4]benzodioxin-10-ol (10R)-10-(aminomethyl)-2,3,6,7,8…

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) 0.91 1.71 -57.16 4 4 1 66 250.318 1 ↓
Hi High (pH 8-9.5) 0.91 1.12 -7.97 3 4 0 65 249.31 1 ↓

Analogs

19727306
19727306

Draw Identity 99% 90% 80% 70%

Popular Name: (10S)-10-(aminomethyl)-2,3,6,7,8,9-hexahydrocyclohepta[g][1,4]benzodioxin-10-ol (10S)-10-(aminomethyl)-2,3,6,7,8…

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) 0.91 1.71 -57.14 4 4 1 66 250.318 1 ↓
Hi High (pH 8-9.5) 0.91 1.42 -8.12 3 4 0 65 249.31 1 ↓

Analogs

19727449
19727449

Draw Identity 99% 90% 80% 70%

Popular Name: (10R)-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-amine (10R)-3,6,7,8,9,10-hexahydro-2H-…

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) 0.20 4.02 -51.06 3 3 1 46 220.292 0 ↓

Analogs

19727448
19727448

Draw Identity 99% 90% 80% 70%

Popular Name: (10S)-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-amine (10S)-3,6,7,8,9,10-hexahydro-2H-…

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) 0.20 4.01 -51.16 3 3 1 46 220.292 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10R)-N-methyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-amine (10R)-N-methyl-3,6,7,8,9,10-hexa…

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) 1.55 6.36 -39.08 2 3 1 35 234.319 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10S)-N-methyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-amine (10S)-N-methyl-3,6,7,8,9,10-hexa…

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) 1.55 5.52 -42.33 2 3 1 35 234.319 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10R)-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-amine (10R)-N-ethyl-3,6,7,8,9,10-hexah…

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) 1.92 7.18 -37.52 2 3 1 35 248.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10S)-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-amine (10S)-N-ethyl-3,6,7,8,9,10-hexah…

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) 1.92 6.35 -40.3 2 3 1 35 248.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10R)-N-propyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-amine (10R)-N-propyl-3,6,7,8,9,10-hexa…

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) 2.43 7.95 -38.03 2 3 1 35 262.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10S)-N-propyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-amine (10S)-N-propyl-3,6,7,8,9,10-hexa…

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) 2.43 7.11 -41.04 2 3 1 35 262.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10R)-10-bromo-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxine (10R)-10-bromo-3,6,7,8,9,10-hexa…

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) 3.40 6.96 -5 0 2 0 18 283.165 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10S)-10-bromo-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxine (10S)-10-bromo-3,6,7,8,9,10-hexa…

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) 3.40 6.96 -5 0 2 0 18 283.165 0 ↓

Parameters Provided:

ring.id = 52319
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 = 52319 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=52319&filter.purchasability=annotated

Embed Link to Results