Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_p9qqdek3b54pm0e8c3cm6ameb7, 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-(4-amino-2,6-dichloro-phenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide N-(4-amino-2,6-dichloro-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) 0.75 3.86 -18.61 3 6 0 93 330.171 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetamido-2-methyl-phenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide N-(3-acetamido-2-methyl-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) 0.03 4.51 -26.78 2 7 0 96 317.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-acetamido-2-fluoro-phenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide N-(5-acetamido-2-fluoro-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) -0.23 3.62 -20.92 2 7 0 96 321.308 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide N-[5-(dimethylsulfamoyl)-2-methy…

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) 0.15 3.53 -24.39 1 8 0 104 367.427 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[(1R)-1-methylpropyl]sulfanyl-phenyl]propanamide 3-(2,5-dioxopyrrolidin-1-yl)-N-[…

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) 2.51 8.64 -15.32 1 5 0 66 348.468 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[(1S)-1-methylpropyl]sulfanyl-phenyl]propanamide 3-(2,5-dioxopyrrolidin-1-yl)-N-[…

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) 2.51 8.64 -15.31 1 5 0 66 348.468 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(diethylsulfamoyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide N-[3-(diethylsulfamoyl)phenyl]-3…

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) 0.50 4.34 -24.51 1 8 0 104 381.454 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-N,N-diethyl-benzamide 4-[3-(2,5-dioxopyrrolidin-1-yl)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) 0.18 6.34 -21.97 1 7 0 87 345.399 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dichloro-4-methoxy-phenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide N-(3,5-dichloro-4-methoxy-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) 1.73 5.15 -15.42 1 6 0 76 345.182 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-ethylsulfanyl-phenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide N-(5-chloro-2-ethylsulfanyl-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) 1.88 7.15 -14.86 1 5 0 66 340.832 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[butyl(methyl)amino]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide N-[4-[butyl(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) 2.00 7.53 -16.19 1 6 0 70 331.416 8 ↓
Lo Low (pH 4.5-6) 2.00 7.97 -30.74 2 6 0 71 332.424 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide 3-(2,5-dioxopyrrolidin-1-yl)-N-[…

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 1.96 -17.53 2 6 0 87 276.292 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-3-fluoro-phenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide N-(4-chloro-3-fluoro-phenyl)-3-(…

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) 1.23 5.2 -14.25 1 5 0 66 298.701 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(hydroxymethyl)phenyl]propanamide 3-(2,5-dioxopyrrolidin-1-yl)-N-[…

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) -0.25 2.26 -17 2 6 0 87 276.292 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide N-(2,3-difluorophenyl)-3-(2,5-di…

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) 0.69 4.81 -13.86 1 5 0 66 282.246 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-[(1S)-1-hydroxyethyl]phenyl]propanamide 3-(2,5-dioxopyrrolidin-1-yl)-N-[…

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) -0.02 3.04 -16.58 2 6 0 87 290.319 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]propanamide 3-(2,5-dioxopyrrolidin-1-yl)-N-[…

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) -0.02 3.1 -16.71 2 6 0 87 290.319 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-dimethylaminophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide N-(4-dimethylaminophenyl)-3-(2,5…

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) 0.56 5.06 -16.45 1 6 0 70 289.335 5 ↓
Lo Low (pH 4.5-6) 0.56 5.8 -32.77 2 6 0 71 290.343 5 ↓

Parameters Provided:

ring.id = 48755
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 = 48755 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=48755&filter.purchasability=annotated

Embed Link to Results