Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_vmn332eo2aabu46j30a2hs4r32, 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

41509191
41509191
41509195
41509195
41509438
41509438
41509442
41509442

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-5-(4-isopropylphenyl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pentanen (2S)-5-(4-isopropylphenyl)-3-oxo…

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) 3.52 12.71 -21.64 0 5 0 72 350.466 6 ↓

Analogs

41509191
41509191
41509195
41509195
41509438
41509438
41509442
41509442

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-(4-isopropylphenyl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pentanen (2R)-5-(4-isopropylphenyl)-3-oxo…

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) 3.52 12.7 -21.26 0 5 0 72 350.466 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,4S)-1-(4-chlorophenyl)-4-cyano-3-oxo-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3- N-[(1S,4S)-1-(4-chlorophenyl)-4-…

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) 0.46 10.15 -33.26 1 7 0 101 399.882 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,4S)-1-(4-chlorophenyl)-4-cyano-3-oxo-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3- N-[(1R,4S)-1-(4-chlorophenyl)-4-…

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) 0.46 10.14 -28.95 1 7 0 101 399.882 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,4R)-1-(4-chlorophenyl)-4-cyano-3-oxo-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3- N-[(1S,4R)-1-(4-chlorophenyl)-4-…

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) 0.46 10.13 -28.61 1 7 0 101 399.882 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,4R)-1-(4-chlorophenyl)-4-cyano-3-oxo-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3- N-[(1R,4R)-1-(4-chlorophenyl)-4-…

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) 0.46 10.12 -32.58 1 7 0 101 399.882 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-5-(2-bromophenyl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pentanenitri (2S)-5-(2-bromophenyl)-3-oxo-2-(…

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) 2.76 11.26 -20.32 0 5 0 72 387.281 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-(2-bromophenyl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pentanenitri (2R)-5-(2-bromophenyl)-3-oxo-2-(…

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) 2.76 11.24 -22.29 0 5 0 72 387.281 5 ↓

Analogs

41506247
41506247

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-5-(2,4-dichlorophenyl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pentane (2S)-5-(2,4-dichlorophenyl)-3-ox…

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) 3.29 11.66 -22.62 0 5 0 72 377.275 5 ↓

Analogs

41506243
41506243

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-(2,4-dichlorophenyl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pentane (2R)-5-(2,4-dichlorophenyl)-3-ox…

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) 3.29 11.64 -19.88 0 5 0 72 377.275 5 ↓

Analogs

41506549
41506549

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-5-(2,5-dimethoxyphenyl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pentan (2S)-5-(2,5-dimethoxyphenyl)-3-o…

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) 2.04 9.42 -23.61 0 7 0 90 368.437 7 ↓

Analogs

41506545
41506545

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-(2,5-dimethoxyphenyl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pentan (2R)-5-(2,5-dimethoxyphenyl)-3-o…

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) 2.04 9.4 -23.35 0 7 0 90 368.437 7 ↓

Analogs

41507464
41507464

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-5-(2,4-dimethylphenyl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pentane (2S)-5-(2,4-dimethylphenyl)-3-ox…

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) 2.83 11.92 -21.93 0 5 0 72 336.439 5 ↓

Analogs

41507460
41507460

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-(2,4-dimethylphenyl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pentane (2R)-5-(2,4-dimethylphenyl)-3-ox…

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) 2.83 11.9 -21.13 0 5 0 72 336.439 5 ↓

Analogs

41509195
41509195
41509438
41509438
41509442
41509442
54726541
54726541
54726543
54726543

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-5-(4-tert-butylphenyl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pentane (2S)-5-(4-tert-butylphenyl)-3-ox…

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) 3.71 13.11 -21.58 0 5 0 72 364.493 6 ↓

Analogs

41509438
41509438
41509442
41509442
54726541
54726541
54726543
54726543
73973217
73973217

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-(4-tert-butylphenyl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pentane (2R)-5-(4-tert-butylphenyl)-3-ox…

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) 3.71 13.09 -21.23 0 5 0 72 364.493 6 ↓

Analogs

41509442
41509442
54726541
54726541
54726543
54726543
73973217
73973217
73973220
73973220

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-5-(4-ethylphenyl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pentanenitri (2S)-5-(4-ethylphenyl)-3-oxo-2-(…

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) 2.92 12.23 -21.67 0 5 0 72 336.439 6 ↓

Analogs

54726541
54726541
54726543
54726543
73973217
73973217
73973220
73973220
41509191
41509191

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-(4-ethylphenyl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pentanenitri (2R)-5-(4-ethylphenyl)-3-oxo-2-(…

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) 2.92 12.21 -21.35 0 5 0 72 336.439 6 ↓

Parameters Provided:

ring.id = 150537
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 = 150537 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=150537&filter.purchasability=annotated

Embed Link to Results