Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_9at32t440an9ojmk3rq0j9irl2, 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-[[2-(difluoromethylsulfanyl)benzimidazol-1-yl]methyl]-N,N-dimethyl-piperidine-4-carboxamide 1-[[2-(difluoromethylsulfanyl)be…

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 7.73 -20.26 0 5 0 41 368.453 5 ↓
Mid Mid (pH 6-8) 2.67 9.99 -59.59 1 5 1 43 369.461 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 3.65 12.2 -56.59 1 6 1 52 395.474 5 ↓
Hi High (pH 8-9.5) 3.65 9.92 -10.64 0 6 0 51 394.466 5 ↓
Lo Low (pH 4.5-6) 3.65 12.67 -131.95 2 6 2 53 396.482 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-piperidyl]-N-methyl-ethanesulfonamide N-[1-[(5,6-dimethylbenzimidazol-…

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) 2.49 7.05 -15.17 0 6 0 58 364.515 5 ↓
Mid Mid (pH 6-8) 2.49 9.33 -58.86 1 6 1 60 365.523 5 ↓
Mid Mid (pH 6-8) 2.49 7.52 -42.62 1 6 1 60 365.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-piperidyl]-N-methyl-ethanesulfonamide N-[1-[(5,6-difluorobenzimidazol-…

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 5.95 -15.65 0 6 0 58 372.441 5 ↓
Mid Mid (pH 6-8) 1.92 8.24 -65.65 1 6 1 60 373.449 5 ↓
Lo Low (pH 4.5-6) 1.92 8.72 -139.58 2 6 2 61 374.457 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-piperidyl]-N-ethyl-methanesulfonamide N-[1-[(5,6-dimethylbenzimidazol-…

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) 2.49 6.85 -15.36 0 6 0 58 364.515 5 ↓
Mid Mid (pH 6-8) 2.49 9.12 -60.29 1 6 1 60 365.523 5 ↓
Mid Mid (pH 6-8) 2.49 7.33 -42.85 1 6 1 60 365.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-piperidyl]-N-ethyl-methanesulfonamide N-[1-[(5,6-difluorobenzimidazol-…

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 5.77 -15.78 0 6 0 58 372.441 5 ↓
Mid Mid (pH 6-8) 1.92 8.05 -66.61 1 6 1 60 373.449 5 ↓
Lo Low (pH 4.5-6) 1.92 8.52 -140.62 2 6 2 61 374.457 5 ↓

Parameters Provided:

ring.id = 188816
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 = 188816 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=188816&filter.purchasability=annotated

Embed Link to Results