Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_1li8aoqblqt34mc59in13agtm4, 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

2799987
2799987
2800063
2800063
2800452
2800452
2800537
2800537
2802298
2802298

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(2-methoxyphenoxy)methyl]phenyl]-phenyl-BLAH [3-[(2-methoxyphenoxy)methyl]phe…

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) 4.35 15.47 -15.8 0 8 0 79 448.486 6 ↓

Analogs

2799987
2799987
2800063
2800063
2800452
2800452
2802298
2802298
2802324
2802324

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(phenylBLAHyl)benzyl]oxybenzonitrile 4-[3-(phenylBLAHyl)benzyl]oxyben…

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) 4.49 15.95 -15.84 0 8 0 94 443.47 5 ↓

Analogs

2797003
2797003
2797023
2797023
2797144
2797144

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(4-ethoxyphenoxy)methyl]phenyl]-phenyl-BLAH [3-[(4-ethoxyphenoxy)methyl]phen…

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) 5.17 15.78 -14.13 0 8 0 79 462.513 7 ↓

Analogs

2797003
2797003
2797144
2797144

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(2-chlorophenoxy)methyl]phenyl]-phenyl-BLAH [3-[(2-chlorophenoxy)methyl]phen…

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) 5.37 16.11 -14.37 0 7 0 70 452.905 5 ↓

Analogs

2797003
2797003
2797144
2797144

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(4-chlorophenoxy)methyl]phenyl]-phenyl-BLAH [3-[(4-chlorophenoxy)methyl]phen…

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) 5.42 16.07 -12.77 0 7 0 70 452.905 5 ↓

Analogs

2797003
2797003
2797023
2797023
2797144
2797144

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(3-methoxyphenoxy)methyl]phenyl]-phenyl-BLAH [3-[(3-methoxyphenoxy)methyl]phe…

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) 4.77 14.88 -15.19 0 8 0 79 448.486 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-phenyl-BLAH [3-[(3-methyl-4-nitro-phenoxy)me…

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) 5.07 16.83 -16.53 0 10 0 116 477.484 6 ↓

Analogs

2797144
2797144

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(2-chlorophenoxy)methyl]-4-methoxy-phenyl]-phenyl-BLAH [3-[(2-chlorophenoxy)methyl]-4-m…

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) 5.38 15.59 -14.54 0 8 0 79 482.931 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(2,4-difluorophenoxy)methyl]phenyl]-phenyl-BLAH [3-[(2,4-difluorophenoxy)methyl]…

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) 4.99 15.7 -15.19 0 7 0 70 454.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(4-nitrophenoxy)methyl]phenyl]-phenyl-BLAH [3-[(4-nitrophenoxy)methyl]pheny…

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) 4.70 16.22 -16.94 0 10 0 116 463.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(2,5-dimethylphenoxy)methyl]phenyl]-phenyl-BLAH [3-[(2,5-dimethylphenoxy)methyl]…

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) 5.56 16.96 -13 0 7 0 70 446.514 5 ↓

Analogs

2797003
2797003
2797023
2797023
2797144
2797144

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(2,4-dimethylphenoxy)methyl]phenyl]-phenyl-BLAH [3-[(2,4-dimethylphenoxy)methyl]…

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) 5.56 16.94 -13.03 0 7 0 70 446.514 5 ↓

Analogs

2797003
2797003
2797144
2797144

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(3-chlorophenoxy)methyl]phenyl]-phenyl-BLAH [3-[(3-chlorophenoxy)methyl]phen…

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) 5.39 16.07 -12.64 0 7 0 70 452.905 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(4-methyl-2-nitro-phenoxy)methyl]phenyl]-phenyl-BLAH [3-[(4-methyl-2-nitro-phenoxy)me…

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) 5.07 17.66 -20.94 0 10 0 116 477.484 6 ↓

Parameters Provided:

ring.id = 240029
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 = 240029 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=240029&filter.purchasability=annotated

Embed Link to Results