Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_8uhj3iejs6je5foj07f10500r2, 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: 4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide 4-methyl-N-[(4-pyrrolidin-1-ylph…

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) 3.48 7.81 -7.61 1 3 0 32 294.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methanesulfonamido-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide 4-methanesulfonamido-3-methyl-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) 2.64 4.61 -13.6 2 6 0 79 387.505 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide 2-methoxy-N-[(4-pyrrolidin-1-ylp…

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) 3.59 7.69 -10.79 1 4 0 42 310.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide 2-methyl-3-nitro-N-[(4-pyrrolidi…

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) 3.35 8.31 -11.92 1 6 0 78 339.395 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methanesulfonamido-4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide 3-methanesulfonamido-4-methyl-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) 2.64 4.61 -17.73 2 6 0 79 387.505 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide 3-chloro-N-[(4-pyrrolidin-1-ylph…

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) 3.69 7.65 -6.35 1 3 0 32 314.816 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide 3-methoxy-N-[(4-pyrrolidin-1-ylp…

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 6.42 -11.56 1 4 0 42 310.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-iodo-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide 4-iodo-N-[(4-pyrrolidin-1-ylphen…

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) 4.12 8.23 -6.56 1 3 0 32 406.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(ethylsulfonyl-methyl-amino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide 4-(ethylsulfonyl-methyl-amino)-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) 2.89 6.14 -14.59 1 6 0 70 401.532 7 ↓

Analogs

7383304
7383304

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide 4-methoxy-N-[(4-pyrrolidin-1-ylp…

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) 3.09 6.45 -8.58 1 4 0 42 310.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methylsulfanyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide 2-methylsulfanyl-N-[(4-pyrrolidi…

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) 3.42 8.12 -9.05 1 3 0 32 326.465 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide 4-tert-butyl-N-[(4-pyrrolidin-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) 4.74 9.45 -7.03 1 3 0 32 336.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methanesulfonamido-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide 4-methanesulfonamido-N-[(4-pyrro…

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 3.76 -16.95 2 6 0 79 373.478 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trimethoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide 3,4,5-trimethoxy-N-[(4-pyrrolidi…

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) 2.67 6.29 -11.63 1 6 0 60 370.449 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide 4-bromo-N-[(4-pyrrolidin-1-ylphe…

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) 3.84 7.76 -6.69 1 3 0 32 359.267 4 ↓

Parameters Provided:

ring.id = 66450
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 = 66450 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=66450&filter.purchasability=annotated

Embed Link to Results