Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_to6ddkthru9abbl5t53v3fl9k5, 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: N-ethyl-2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]-N-phenyl-acetamide N-ethyl-2-[(1R)-3-oxo-1H-isobenz…

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 10.71 -18.4 0 4 0 47 295.338 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-nitrophenyl)-2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]acetamide N-(4-nitrophenyl)-2-[(1R)-3-oxo-…

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) 2.57 8.76 -22.5 1 7 0 101 312.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-3-nitro-phenyl)-2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]acetamide N-(4-chloro-3-nitro-phenyl)-2-[(…

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) 3.18 9.13 -26.52 1 7 0 101 346.726 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(methoxymethyl)phenyl]-2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]acetamide N-[2-(methoxymethyl)phenyl]-2-[(…

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) 2.52 8.13 -19.2 1 5 0 65 311.337 5 ↓

Analogs

14227170
14227170
36730800
36730800
36730802
36730802

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 2.76 8.74 -28.34 1 6 0 82 325.32 5 ↓

Analogs

36730800
36730800
36730802
36730802
14227167
14227167

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 2.76 8.67 -28.19 1 6 0 82 325.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methyl-3-nitro-phenyl)-2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]acetamide N-(2-methyl-3-nitro-phenyl)-2-[(…

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) 2.93 9.55 -19.3 1 7 0 101 326.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-fluoro-2-isopropoxy-phenyl)-2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]acetamide N-(5-fluoro-2-isopropoxy-phenyl)…

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) 3.50 9.13 -19 1 5 0 65 343.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-fluoro-2-isopropoxy-phenyl)-2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]acetamide N-(5-fluoro-2-isopropoxy-phenyl)…

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) 3.50 9.12 -19.17 1 5 0 65 343.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethoxy)-3-fluoro-phenyl]-2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]acetamide N-[4-(difluoromethoxy)-3-fluoro-…

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) 3.32 7.68 -23.38 1 5 0 65 351.28 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethoxy)-3-fluoro-phenyl]-2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]acetamide N-[4-(difluoromethoxy)-3-fluoro-…

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) 3.32 7.68 -22.76 1 5 0 65 351.28 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]acetamide N-[4-fluoro-3-(trifluoromethyl)p…

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) 3.60 9.1 -18.09 1 4 0 55 353.271 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]acetamide N-[4-fluoro-3-(trifluoromethyl)p…

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) 3.60 9.1 -18.82 1 4 0 55 353.271 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-3-fluoro-phenyl)-2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]acetamide N-(4-chloro-3-fluoro-phenyl)-2-[…

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) 3.38 8.61 -22 1 4 0 55 319.719 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-3-fluoro-phenyl)-2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]acetamide N-(4-chloro-3-fluoro-phenyl)-2-[…

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) 3.38 8.61 -21.05 1 4 0 55 319.719 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-cyanophenyl)-N-methyl-2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]acetamide N-(3-cyanophenyl)-N-methyl-2-[(1…

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 10.24 -21.89 0 5 0 70 306.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-nitro-phenyl)-2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]acetamide N-(3-chloro-4-nitro-phenyl)-2-[(…

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) 3.18 9.13 -25.07 1 7 0 101 346.726 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-nitro-phenyl)-2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]acetamide N-(3-chloro-4-nitro-phenyl)-2-[(…

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) 3.18 9.13 -24.36 1 7 0 101 346.726 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[acetyl(methyl)amino]phenyl]-2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]acetamide N-[4-[acetyl(methyl)amino]phenyl…

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) 2.08 8.27 -22.96 1 6 0 76 338.363 4 ↓

Parameters Provided:

ring.id = 145982
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 = 145982 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=145982&filter.purchasability=annotated

Embed Link to Results