Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_nmqpeltsgj93u5mkbe7ul2cr96, 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: (3R)-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydrobenzofuran-3-amine (3R)-6-[(5-ethyl-1,3,4-oxadiazol…

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) -1.46 -1.44 -55.89 3 6 1 85 262.289 4 ↓
Hi High (pH 8-9.5) -1.46 -1.74 -12.95 2 6 0 83 261.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydrobenzofuran-3-amine (3S)-6-[(5-ethyl-1,3,4-oxadiazol…

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) -1.46 -1.43 -59.57 3 6 1 85 262.289 4 ↓
Hi High (pH 8-9.5) -1.46 -1.73 -11.46 2 6 0 83 261.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydrobenzofuran-3-amine (3R)-6-[(5-methyl-1,3,4-oxadiazo…

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) -2.04 -2.2 -56.45 3 6 1 85 248.262 3 ↓
Hi High (pH 8-9.5) -2.04 -2.49 -13.55 2 6 0 83 247.254 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydrobenzofuran-3-amine (3S)-6-[(5-methyl-1,3,4-oxadiazo…

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) -2.04 -2.18 -60.12 3 6 1 85 248.262 3 ↓
Hi High (pH 8-9.5) -2.04 -2.49 -12.03 2 6 0 83 247.254 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-N-methyl-2,3-dihydrobenzofuran-3-amine (3R)-6-[(5-ethyl-1,3,4-oxadiazol…

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) 0.79 0.31 -50.01 2 6 1 74 276.316 5 ↓
Hi High (pH 8-9.5) 0.79 -0.94 -11.98 1 6 0 69 275.308 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-N-methyl-2,3-dihydrobenzofuran-3-amine (3S)-6-[(5-ethyl-1,3,4-oxadiazol…

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) 0.79 0.31 -50.39 2 6 1 74 276.316 5 ↓
Hi High (pH 8-9.5) 0.79 -0.93 -11.25 1 6 0 69 275.308 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydrobenzofuran-3-amine (3R)-N-methyl-6-[(5-methyl-1,3,4…

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) 0.22 -0.44 -50.58 2 6 1 74 262.289 4 ↓
Hi High (pH 8-9.5) 0.22 -1.7 -12.62 1 6 0 69 261.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydrobenzofuran-3-amine (3S)-N-methyl-6-[(5-methyl-1,3,4…

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) 0.22 -0.44 -50.95 2 6 1 74 262.289 4 ↓
Hi High (pH 8-9.5) 0.22 -1.69 -11.88 1 6 0 69 261.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydrobenzofuran-3-amine (3R)-N-ethyl-6-[(5-ethyl-1,3,4-o…

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) 1.17 1.15 -48.9 2 6 1 74 290.343 6 ↓
Hi High (pH 8-9.5) 1.17 -0.03 -11.83 1 6 0 69 289.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-ethyl-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydrobenzofuran-3-amine (3S)-N-ethyl-6-[(5-ethyl-1,3,4-o…

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) 1.17 1.15 -49.16 2 6 1 74 290.343 6 ↓
Hi High (pH 8-9.5) 1.17 0 -11 1 6 0 69 289.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydrobenzofuran-3-amine (3S)-N-ethyl-6-[(5-methyl-1,3,4-…

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) 0.59 0.38 -49.69 2 6 1 74 276.316 5 ↓
Hi High (pH 8-9.5) 0.59 -0.79 -12.34 1 6 0 69 275.308 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydrobenzofuran-3-amine (3R)-N-ethyl-6-[(5-methyl-1,3,4-…

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) 0.59 0.37 -49.44 2 6 1 74 276.316 5 ↓
Hi High (pH 8-9.5) 0.59 -0.77 -11.76 1 6 0 69 275.308 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-N-propyl-2,3-dihydrobenzofuran-3-amine (3S)-6-[(5-methyl-1,3,4-oxadiazo…

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) 1.10 1.14 -50.49 2 6 1 74 290.343 6 ↓
Hi High (pH 8-9.5) 1.10 -0.03 -12.21 1 6 0 69 289.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-N-propyl-2,3-dihydrobenzofuran-3-amine (3R)-6-[(5-methyl-1,3,4-oxadiazo…

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) 1.10 1.13 -50.11 2 6 1 74 290.343 6 ↓
Hi High (pH 8-9.5) 1.10 -0.01 -11.62 1 6 0 69 289.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydrobenzofuran-3-ol (3R)-6-[(5-ethyl-1,3,4-oxadiazol…

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) 0.24 -2.08 -14.6 1 6 0 78 262.265 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydrobenzofuran-3-ol (3S)-6-[(5-ethyl-1,3,4-oxadiazol…

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) 0.24 -2.08 -13.11 1 6 0 78 262.265 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydrobenzofuran-3-ol (3R)-6-[(5-methyl-1,3,4-oxadiazo…

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) -0.34 -2.83 -15.23 1 6 0 78 248.238 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydrobenzofuran-3-ol (3S)-6-[(5-methyl-1,3,4-oxadiazo…

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) -0.34 -2.83 -13.72 1 6 0 78 248.238 3 ↓

Parameters Provided:

ring.id = 275046
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 = 275046 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=275046&filter.purchasability=annotated

Embed Link to Results