Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_jphd51eme4tdk12p180bq0qso1, 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: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(3-nitrophenyl)thiazol-2-yl]acetam 2-[[4-amino-5-(trifluoromethyl)-…

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) 2.23 7.86 -20.67 3 10 0 145 445.408 7 ↓
Hi High (pH 8-9.5) 2.41 6.8 -45.97 2 10 -1 151 444.4 7 ↓

Analogs

6785654
6785654

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-ethylphenyl)thiazol-2-yl]acetamide 2-[(4-allyl-5-methyl-1,2,4-triaz…

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) 3.56 11.71 -14.99 1 6 0 73 399.545 8 ↓
Hi High (pH 8-9.5) 3.74 10.28 -48.08 0 6 -1 79 398.537 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(3,4-dichlorophenyl)thiazol-2-yl]a 2-[[4-amino-5-(trifluoromethyl)-…

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) 3.58 8.25 -11.87 3 7 0 99 469.301 6 ↓
Hi High (pH 8-9.5) 3.76 6.82 -35.78 2 7 -1 105 468.293 6 ↓

Analogs

36640305
36640305

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(3-nitrophenyl)thiazol-2-yl]p (2S)-2-[[4-amino-5-(trifluoromet…

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 8.65 -17.34 3 10 0 145 459.435 7 ↓
Hi High (pH 8-9.5) 2.78 6.89 -44.7 2 10 -1 151 458.427 7 ↓

Analogs

36640304
36640304

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(3-nitrophenyl)thiazol-2-yl]p (2R)-2-[[4-amino-5-(trifluoromet…

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 8.66 -17.31 3 10 0 145 459.435 7 ↓
Hi High (pH 8-9.5) 2.78 6.91 -44.63 2 10 -1 151 458.427 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(2,4,6-trimethylphenyl)thiazol-2-y 2-[[4-amino-5-(trifluoromethyl)-…

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 9.25 -12.15 3 7 0 99 442.492 6 ↓
Hi High (pH 8-9.5) 3.68 7.82 -40.79 2 7 -1 105 441.484 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-propylphenyl)thiazol-2-yl]aceta 2-[[4-amino-5-(trifluoromethyl)-…

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 9.49 -12.36 3 7 0 99 442.492 8 ↓
Hi High (pH 8-9.5) 3.78 8.07 -40.76 2 7 -1 105 441.484 8 ↓

Analogs

3402794
3402794

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[4-(3,4-dichlorophenyl)thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propionamide (2S)-N-[4-(3,4-dichlorophenyl)th…

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) 3.56 -0.15 -13.04 1 6 0 72 414.343 5 ↓

Analogs

3402791
3402791

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[4-(3,4-dichlorophenyl)thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propionamide (2R)-N-[4-(3,4-dichlorophenyl)th…

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) 3.56 -0.17 -14.64 1 6 0 72 414.343 5 ↓

Parameters Provided:

ring.id = 43279
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 = 43279 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=43279&filter.purchasability=annotated

Embed Link to Results