Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_4sb90op826ta0cfjag9i7mqcs1, 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: 1-(4-aminophenyl)-N-(dicyclopropylmethyl)methanesulfonamide 1-(4-aminophenyl)-N-(dicycloprop…

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) 1.87 4.02 -10.86 3 4 0 72 280.393 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-aminophenyl)-N-(dicyclopropylmethyl)methanesulfonamide 1-(3-aminophenyl)-N-(dicycloprop…

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) 1.85 4.01 -10.82 3 4 0 72 280.393 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(dicyclopropylmethylsulfamoylmethyl)benzoic 4-(dicyclopropylmethylsulfamoylm…

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) 2.71 6.71 -56.11 1 5 -1 86 308.379 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(dicyclopropylmethylsulfamoylmethyl)benzoic 3-(dicyclopropylmethylsulfamoylm…

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) 2.68 6.69 -58.38 1 5 -1 86 308.379 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide 1-[4-(aminomethyl)phenyl]-N-(dic…

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) 1.98 4.18 -53.06 4 4 1 74 295.428 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide 1-[2-(aminomethyl)phenyl]-N-(dic…

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) 1.93 4.22 -57.17 4 4 1 74 295.428 7 ↓
Hi High (pH 8-9.5) 1.93 4.72 -8.84 3 4 0 72 294.42 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide 1-[3-(aminomethyl)phenyl]-N-(dic…

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) 1.96 4.16 -50.49 4 4 1 74 295.428 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(dicyclopropylmethylsulfamoylmethyl)benzenecarbothioamide 4-(dicyclopropylmethylsulfamoylm…

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) 2.59 5.37 -18.75 3 4 0 72 324.471 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(dicyclopropylmethylsulfamoylmethyl)benzenecarbothioamide 2-(dicyclopropylmethylsulfamoylm…

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 5.36 -12.39 3 4 0 72 324.471 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(dicyclopropylmethylsulfamoylmethyl)benzenecarbothioamide 3-(dicyclopropylmethylsulfamoylm…

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 5.35 -22.06 3 4 0 72 324.471 7 ↓

Analogs

25365967
25365967
25365971
25365971
25365975
25365975
25365979
25365979

Draw Identity 99% 90% 80% 70%

Popular Name: N-(dicyclopropylmethyl)-1-(4-fluorophenyl)methanesulfonamide N-(dicyclopropylmethyl)-1-(4-flu…

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) 2.96 6.21 -10.64 1 3 0 46 283.368 6 ↓

Parameters Provided:

ring.id = 166797
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 = 166797 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=166797&filter.purchasability=annotated

Embed Link to Results