Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_fc4do0vkqs78nc1m9idgbr6l36, 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: 3-(chloromethyl)-5-(5-quinolyl)-1,2,4-oxadiazole 3-(chloromethyl)-5-(5-quinolyl)-…

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 4.26 -8.78 0 4 0 52 245.669 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]methanamine [5-(5-quinolyl)-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) 1.16 1.06 -50.35 3 5 1 79 227.247 2 ↓
Hi High (pH 8-9.5) 1.16 0.67 -9.01 2 5 0 78 226.239 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]ethanamine (1S)-1-[5-(5-quinolyl)-1,2,4-oxa…

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 1.6 -46.61 3 5 1 79 241.274 2 ↓
Hi High (pH 8-9.5) -0.16 1.29 -9.17 2 5 0 78 240.266 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]ethanamine (1R)-1-[5-(5-quinolyl)-1,2,4-oxa…

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 1.6 -46.99 3 5 1 79 241.274 2 ↓
Hi High (pH 8-9.5) -0.16 1.23 -9.39 2 5 0 78 240.266 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-1-[5-(5-quinolyl)-1,2,4-oxa…

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) 0.34 2.41 -45.23 3 5 1 79 255.301 3 ↓
Hi High (pH 8-9.5) 0.34 2.1 -8.9 2 5 0 78 254.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-1-[5-(5-quinolyl)-1,2,4-oxa…

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) 0.34 2.41 -45.69 3 5 1 79 255.301 3 ↓
Hi High (pH 8-9.5) 0.34 2.12 -7.63 2 5 0 78 254.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.90 3.18 -46.36 3 5 1 79 269.328 4 ↓
Hi High (pH 8-9.5) 0.90 2.89 -7.54 2 5 0 78 268.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.90 3.18 -46.87 3 5 1 79 269.328 4 ↓
Hi High (pH 8-9.5) 0.90 2.86 -8.69 2 5 0 78 268.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.59 2.65 -45.49 3 5 1 79 269.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.59 3.13 -45.53 3 5 1 79 269.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2,2-dimethyl-1-[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-2,2-dimethyl-1-[5-(5-quinol…

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) 1.17 3.25 -45.35 3 5 1 79 283.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2,2-dimethyl-1-[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-2,2-dimethyl-1-[5-(5-quinol…

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) 1.17 3.24 -46.02 3 5 1 79 283.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-(5-quinolyl)-1,2,4-oxadiazo…

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) 2.17 2.19 -45.84 3 5 1 79 255.301 2 ↓
Hi High (pH 8-9.5) 2.17 1.95 -8.95 2 5 0 78 254.293 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine 3-[5-(5-quinolyl)-1,2,4-oxadiazo…

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) 3.17 3.66 -44.88 3 5 1 79 283.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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 2.93 -44.31 3 5 1 79 269.328 3 ↓
Hi High (pH 8-9.5) 2.67 2.64 -8.87 2 5 0 78 268.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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 2.82 -44.92 3 5 1 79 269.328 3 ↓
Hi High (pH 8-9.5) 2.67 2.58 -7.76 2 5 0 78 268.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]ethanamine 2-[5-(5-quinolyl)-1,2,4-oxadiazo…

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) 0.96 1.77 -52.47 3 5 1 79 241.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]methanamine N-methyl-1-[5-(5-quinolyl)-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) 1.53 2.93 -44.58 2 5 1 68 241.274 3 ↓
Hi High (pH 8-9.5) 1.53 1.5 -8.81 1 5 0 64 240.266 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]ethanamine N-methyl-2-[5-(5-quinolyl)-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) 1.94 3.65 -47.29 2 5 1 68 255.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine N-[[5-(5-quinolyl)-1,2,4-oxadiaz…

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) 1.91 3.79 -43.47 2 5 1 68 255.301 4 ↓
Hi High (pH 8-9.5) 1.91 2.43 -8.61 1 5 0 64 254.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine N-[[5-(5-quinolyl)-1,2,4-oxadiaz…

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) 2.21 4.32 -41.6 2 5 1 68 269.328 4 ↓
Hi High (pH 8-9.5) 2.21 3.11 -8.52 1 5 0 64 268.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine 3-[5-(5-quinolyl)-1,2,4-oxadiazo…

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) 1.23 2.55 -51.54 3 5 1 79 255.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (2S)-2-[5-(5-quinolyl)-1,2,4-oxa…

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) 1.28 2.26 -52.06 3 5 1 79 255.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (2R)-2-[5-(5-quinolyl)-1,2,4-oxa…

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) 1.28 2.26 -51.48 3 5 1 79 255.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (2S)-1-[5-(5-quinolyl)-1,2,4-oxa…

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) 1.36 2.5 -46.33 3 5 1 79 255.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[5-(5-quinolyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (2R)-1-[5-(5-quinolyl)-1,2,4-oxa…

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) 1.36 2.38 -43.47 3 5 1 79 255.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.90 3.31 -45.99 3 5 1 79 269.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.90 3.19 -43.01 3 5 1 79 269.328 4 ↓

Parameters Provided:

ring.id = 214932
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 = 214932 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=214932&filter.purchasability=annotated

Embed Link to Results