Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_famg31nv6s05svp9q6n6tv58o6, 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: (2S)-2-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2S)-2-[3-(3-pyridyl)-1,2,4-oxad…

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 1.9 -46.05 3 5 1 79 233.295 4 ↓
Hi High (pH 8-9.5) 2.23 1.64 -7.75 2 5 0 78 232.287 4 ↓
Lo Low (pH 4.5-6) 2.23 2.35 -92.94 4 5 2 81 234.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2R)-2-[3-(3-pyridyl)-1,2,4-oxad…

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 1.89 -46.05 3 5 1 79 233.295 4 ↓
Hi High (pH 8-9.5) 2.23 1.64 -6.16 2 5 0 78 232.287 4 ↓
Lo Low (pH 4.5-6) 2.23 2.34 -93.1 4 5 2 81 234.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 0.73 3.49 -17.01 1 8 0 107 318.333 9 ↓
Lo Low (pH 4.5-6) 0.73 3.94 -48.29 2 8 1 108 319.341 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-bromopropyl]-3-(3-pyridyl)-1,2,4-oxadiazole 5-[(1S)-1-bromopropyl]-3-(3-pyri…

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 3.96 -6.68 0 4 0 52 268.114 3 ↓
Lo Low (pH 4.5-6) 2.55 4.41 -37.7 1 4 1 53 269.122 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-bromopropyl]-3-(3-pyridyl)-1,2,4-oxadiazole 5-[(1R)-1-bromopropyl]-3-(3-pyri…

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 3.96 -6.67 0 4 0 52 268.114 3 ↓
Lo Low (pH 4.5-6) 2.55 4.41 -37.72 1 4 1 53 269.122 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,4-Oxadiazole-5-propanamide, 3-(3-pyridinyl)- 1,2,4-Oxadiazole-5-propanamide, …

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) 0.16 -0.38 -11.27 2 6 0 95 218.216 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-methyl-1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide N-[(1R)-2-methyl-1-[3-(3-pyridyl…

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) 2.09 1.74 -18.47 1 7 0 98 324.406 7 ↓
Lo Low (pH 4.5-6) 2.09 2.19 -46.64 2 7 1 99 325.414 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-methyl-1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide N-[(1S)-2-methyl-1-[3-(3-pyridyl…

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) 2.09 1.55 -12.4 1 7 0 98 324.406 7 ↓
Lo Low (pH 4.5-6) 2.09 2 -45.52 2 7 1 99 325.414 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methyl-propyl]-3-(3-pyridyl)-1,2,4-oxadiazole 5-[(1S)-1-[[2-cyanoethyl(methyl)…

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) 0.68 1.61 -16.16 1 9 0 125 364.431 8 ↓
Hi High (pH 8-9.5) 0.68 1.6 -44.93 0 9 -1 127 363.423 8 ↓
Lo Low (pH 4.5-6) 0.68 1.96 -52.52 2 9 1 126 365.439 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methyl-propyl]-3-(3-pyridyl)-1,2,4-oxadiazole 5-[(1R)-1-[[2-cyanoethyl(methyl)…

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) 0.68 1.85 -14.58 1 9 0 125 364.431 8 ↓
Hi High (pH 8-9.5) 0.68 1.56 -43.75 0 9 -1 127 363.423 8 ↓
Lo Low (pH 4.5-6) 0.68 2.29 -49.33 2 9 1 126 365.439 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-methyl-1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propyl]methanesulfonamide N-[(1S)-2-methyl-1-[3-(3-pyridyl…

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) 1.21 0.02 -11.88 1 7 0 98 296.352 5 ↓
Lo Low (pH 4.5-6) 1.21 0.47 -44.68 2 7 1 99 297.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-methyl-1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propyl]methanesulfonamide N-[(1R)-2-methyl-1-[3-(3-pyridyl…

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) 1.21 -0.1 -19.29 1 7 0 98 296.352 5 ↓
Lo Low (pH 4.5-6) 1.21 0.36 -47.06 2 7 1 99 297.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[methyl-[[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol 2-[methyl-[[3-(3-pyridyl)-1,2,4-…

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) 0.15 0.9 -42.53 2 6 1 76 235.267 5 ↓
Hi High (pH 8-9.5) 0.15 -1.55 -10.3 1 6 0 75 234.259 5 ↓
Lo Low (pH 4.5-6) 0.15 1.35 -87.5 3 6 2 78 236.275 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-pyridyl)-5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole 3-(3-pyridyl)-5-(3,3,3-trifluoro…

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) 2.35 3.8 -8.21 0 4 0 52 243.188 4 ↓
Lo Low (pH 4.5-6) 2.35 4.26 -40.02 1 4 1 53 244.196 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]butan-1-amine 4-[3-(3-pyridyl)-1,2,4-oxadiazol…

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) 0.50 1.57 -50.83 3 5 1 79 219.268 5 ↓
Lo Low (pH 4.5-6) 0.50 2.03 -92.16 4 5 2 81 220.276 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-2-oxo-ethyl)-N-(2-methoxyethyl)-3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide N-(2-amino-2-oxo-ethyl)-N-(2-met…

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) -0.51 0.89 -20.33 2 9 0 124 333.348 9 ↓
Lo Low (pH 4.5-6) -0.51 1.33 -50.49 3 9 1 126 334.356 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 0.62 4.86 -17.3 0 9 0 108 348.359 10 ↓
Lo Low (pH 4.5-6) 0.62 5.08 -45.31 1 9 1 109 349.367 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-isobutyl-3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide N-(2-diethylaminoethyl)-N-isobut…

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 8.73 -41.8 1 7 1 77 374.509 11 ↓
Lo Low (pH 4.5-6) 2.68 9.17 -80.31 2 7 2 78 375.517 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromoallyl)-3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide N-(2-bromoallyl)-3-[3-(3-pyridyl…

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) 1.64 2.99 -10.79 1 6 0 81 337.177 6 ↓
Lo Low (pH 4.5-6) 1.64 3.44 -41.12 2 6 1 82 338.185 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-ethylsulfanyl-N-[[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine (2R)-1-ethylsulfanyl-N-[[3-(3-py…

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) 1.76 4.66 -43.34 2 5 1 68 279.389 7 ↓
Hi High (pH 8-9.5) 1.76 3.58 -8.97 1 5 0 64 278.381 7 ↓
Lo Low (pH 4.5-6) 1.76 5.11 -88.2 3 5 2 70 280.397 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-ethylsulfanyl-N-[[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine (2S)-1-ethylsulfanyl-N-[[3-(3-py…

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) 1.76 4.65 -43.4 2 5 1 68 279.389 7 ↓
Hi High (pH 8-9.5) 1.76 3.43 -7.92 1 5 0 64 278.381 7 ↓
Lo Low (pH 4.5-6) 1.76 5.11 -89.37 3 5 2 70 280.397 7 ↓

Parameters Provided:

ring.id = 114177
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 = 114177 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=114177&filter.purchasability=annotated

Embed Link to Results