Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_q198a7v27v08opb5k54pd9va65, 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: N,N-dimethyl-1-[3-[(3R)-3-piperidyl]-1,2,4-oxadiazol-5-yl]methanamine N,N-dimethyl-1-[3-[(3R)-3-piperi…

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) -0.35 2.74 -90.98 3 5 2 60 212.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-1-[3-[(3S)-3-piperidyl]-1,2,4-oxadiazol-5-yl]methanamine N,N-dimethyl-1-[3-[(3S)-3-piperi…

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) -0.35 2.74 -92.95 3 5 2 60 212.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[3-[(3R)-3-piperidyl]-1,2,4-oxadiazol-5-yl]ethanamine N,N-dimethyl-2-[3-[(3R)-3-piperi…

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) 0.05 3.24 -90.74 3 5 2 60 226.324 4 ↓
Hi High (pH 8-9.5) 0.05 0.75 -42.36 2 5 1 59 225.316 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[3-[(3S)-3-piperidyl]-1,2,4-oxadiazol-5-yl]ethanamine N,N-dimethyl-2-[3-[(3S)-3-piperi…

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) 0.05 3.24 -92.27 3 5 2 60 226.324 4 ↓
Hi High (pH 8-9.5) 0.05 0.75 -42.35 2 5 1 59 225.316 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1,2-dimethylpropyl]-3-[(3R)-3-piperidyl]-1,2,4-oxadiazole 5-[(1R)-1,2-dimethylpropyl]-3-[(…

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) 1.47 3.64 -41.81 2 4 1 56 224.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1,2-dimethylpropyl]-3-[(3R)-3-piperidyl]-1,2,4-oxadiazole 5-[(1S)-1,2-dimethylpropyl]-3-[(…

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) 1.47 3.64 -41.65 2 4 1 56 224.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1,2-dimethylpropyl]-3-[(3S)-3-piperidyl]-1,2,4-oxadiazole 5-[(1R)-1,2-dimethylpropyl]-3-[(…

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) 1.47 3.64 -41.61 2 4 1 56 224.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1,2-dimethylpropyl]-3-[(3S)-3-piperidyl]-1,2,4-oxadiazole 5-[(1S)-1,2-dimethylpropyl]-3-[(…

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) 1.47 3.64 -41.82 2 4 1 56 224.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(methylsulfonylmethyl)-3-[(3R)-3-piperidyl]-1,2,4-oxadiazole 5-(methylsulfonylmethyl)-3-[(3R)…

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) -0.79 -1.31 -56.12 2 6 1 90 246.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(methylsulfonylmethyl)-3-[(3S)-3-piperidyl]-1,2,4-oxadiazole 5-(methylsulfonylmethyl)-3-[(3S)…

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) -0.79 -1.31 -53.58 2 6 1 90 246.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide (3R)-3-(5-ethyl-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) 1.18 1.98 -13.35 1 7 0 80 282.344 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide (3S)-3-(5-ethyl-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) 1.18 1.98 -13.64 1 7 0 80 282.344 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-prop-2-ynyl-piperidine-1-carboxamide (3R)-3-(5-ethyl-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) 1.36 3.38 -10.26 1 6 0 71 262.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-prop-2-ynyl-piperidine-1-carboxamide (3S)-3-(5-ethyl-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) 1.36 3.39 -12.63 1 6 0 71 262.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide (3R)-N-ethyl-3-(5-ethyl-1,2,4-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) 1.57 2.89 -10.41 1 6 0 71 252.318 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-ethyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide (3S)-N-ethyl-3-(5-ethyl-1,2,4-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) 1.57 2.9 -13.28 1 6 0 71 252.318 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-allyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide (3R)-N-allyl-3-(5-ethyl-1,2,4-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) 1.84 3.45 -12.65 1 6 0 71 264.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-allyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide (3S)-N-allyl-3-(5-ethyl-1,2,4-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) 1.84 3.45 -12.89 1 6 0 71 264.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-methylsulfanylethyl)-3-[(3R)-3-piperidyl]-1,2,4-oxadiazole 5-(2-methylsulfanylethyl)-3-[(3R…

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) 0.55 3.15 -42.84 2 4 1 56 228.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-methylsulfanylethyl)-3-[(3S)-3-piperidyl]-1,2,4-oxadiazole 5-(2-methylsulfanylethyl)-3-[(3S…

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) 0.55 3.15 -43.15 2 4 1 56 228.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(methylsulfanylmethyl)-3-[(3R)-3-piperidyl]-1,2,4-oxadiazole 5-(methylsulfanylmethyl)-3-[(3R)…

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 2.35 -44.14 2 4 1 56 214.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(methylsulfanylmethyl)-3-[(3S)-3-piperidyl]-1,2,4-oxadiazole 5-(methylsulfanylmethyl)-3-[(3S)…

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 2.35 -43.02 2 4 1 56 214.314 3 ↓

Parameters Provided:

ring.id = 254606
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 = 254606 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=254606&filter.purchasability=annotated

Embed Link to Results