Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_qe98vt3mcvmeh855nsg9aecdr3, 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: 3-[(2-methylphenoxy)methyl]azetidine 3-[(2-methylphenoxy)methyl]azeti…

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) 2.41 4.81 -40.37 2 2 1 26 178.255 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-((2-fluorophenoxy)methyl)azetidine hydrochloride 3-((2-fluorophenoxy)methyl)azeti…

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) 2.13 4.13 -42.56 2 2 1 26 182.218 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-((2-chlorophenoxy)methyl)azetidine hydrochloride 3-((2-chlorophenoxy)methyl)azeti…

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) 2.64 4.61 -41.33 2 2 1 26 198.673 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-bromophenoxy)methyl]azetidine 3-[(2-bromophenoxy)methyl]azetidine

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) 2.77 4.73 -41.37 2 2 1 26 243.124 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-methoxyphenoxy)methyl]azetidine 3-[(2-methoxyphenoxy)methyl]azet…

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) 1.63 3.96 -41.56 2 3 1 35 194.254 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2,4-dimethylphenoxy)methyl]azetidine 3-[(2,4-dimethylphenoxy)methyl]a…

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) 2.84 5.48 -40.37 2 2 1 26 192.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-chloro-2-methyl-phenoxy)methyl]azetidine 3-[(4-chloro-2-methyl-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) 3.07 5.32 -42.13 2 2 1 26 212.7 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-bromo-2-methyl-phenoxy)methyl]azetidine 3-[(4-bromo-2-methyl-phenoxy)met…

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) 3.20 5.42 -42.19 2 2 1 26 257.151 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-fluoro-2-methyl-phenoxy)methyl]azetidine 3-[(4-fluoro-2-methyl-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) 2.55 4.88 -42.96 2 2 1 26 196.245 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-methylphenoxy)methyl]azetidine 3-[(3-methylphenoxy)methyl]azeti…

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) 2.44 4.73 -40.31 2 2 1 26 178.255 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-nitrophenoxy)methyl]azetidine 3-[(3-nitrophenoxy)methyl]azetidine

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) 1.95 4.76 -49.69 2 5 1 72 209.225 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(azetidin-3-ylmethoxy)benzonitrile 3-(azetidin-3-ylmethoxy)benzonit…

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) 1.74 4.45 -46.22 2 3 1 50 189.238 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.53 5.63 -46.19 2 4 1 52 236.291 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-methylphenoxy)methyl]azetidine 3-[(4-methylphenoxy)methyl]azeti…

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) 2.46 4.73 -40.22 2 2 1 26 178.255 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-((4-chlorophenoxy)methyl)azetidine hydrochloride 3-((4-chlorophenoxy)methyl)azeti…

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) 2.69 4.58 -41.92 2 2 1 26 198.673 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-((4-fluorophenoxy)methyl)azetidine hydrochloride 3-((4-fluorophenoxy)methyl)azeti…

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) 2.17 4.12 -42.77 2 2 1 26 182.218 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-bromophenoxy)methyl]azetidine 3-[(4-bromophenoxy)methyl]azetidine

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) 2.82 4.68 -41.97 2 2 1 26 243.124 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(trifluoromethyl)phenoxy]methyl]azetidine 3-[[4-(trifluoromethyl)phenoxy]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) 2.91 5.06 -43.42 2 2 1 26 232.225 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(azetidin-3-ylmethoxy)benzonitrile 4-(azetidin-3-ylmethoxy)benzonit…

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) 1.77 4.46 -46.62 2 3 1 50 189.238 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.56 5.65 -45.91 2 4 1 52 236.291 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-fluoro-4-methyl-phenoxy)methyl]azetidine 3-[(2-fluoro-4-methyl-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) 2.55 4.81 -42.55 2 2 1 26 196.245 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-((2,4-difluorophenoxy)methyl)azetidine hydrochloride 3-((2,4-difluorophenoxy)methyl)a…

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) 2.27 4.19 -44.4 2 2 1 26 200.208 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-chloro-2-fluoro-phenoxy)methyl]azetidine 3-[(4-chloro-2-fluoro-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) 2.78 4.65 -43.75 2 2 1 26 216.663 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-bromo-4-fluoro-phenoxy)methyl]azetidine 3-[(2-bromo-4-fluoro-phenoxy)met…

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) 2.91 4.8 -43.72 2 2 1 26 261.114 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-bromo-4-chloro-phenoxy)methyl]azetidine 3-[(2-bromo-4-chloro-phenoxy)met…

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) 3.43 5.24 -43 2 2 1 26 277.569 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-fluoro-3-methyl-phenoxy)methyl]azetidine 3-[(4-fluoro-3-methyl-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) 2.55 4.77 -42.9 2 2 1 26 196.245 3 ↓

Parameters Provided:

ring.id = 592633
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 = 592633 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=592633&filter.purchasability=annotated

Embed Link to Results