Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_qa2sadg9gqo9mljbibhl35eh21, 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: 5-(4-aminopiperidine-1-carbonyl)-1H-pyrazin-2-one 5-(4-aminopiperidine-1-carbonyl)…

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) -1.38 -0.4 -52.47 4 6 1 94 223.256 1 ↓
Hi High (pH 8-9.5) -0.92 -2.52 -72.37 3 6 0 97 222.248 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic 4-methyl-1-(6-oxo-1H-pyrazine-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) -0.38 3.08 -50.82 1 7 -1 106 264.261 2 ↓
Hi High (pH 8-9.5) 0.08 1.07 -91.76 0 7 -2 109 263.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(6-oxo-1H-pyrazine-3-c…

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 3.56 -49.99 1 7 -1 106 278.288 3 ↓
Hi High (pH 8-9.5) 0.41 1.55 -91.36 0 7 -2 109 277.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-oxo-1H-pyrazine-3-carbonyl)-4-propyl-piperidine-4-carboxylic 1-(6-oxo-1H-pyrazine-3-carbonyl)…

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 4.32 -50.39 1 7 -1 106 292.315 4 ↓
Hi High (pH 8-9.5) 0.97 2.32 -91.94 0 7 -2 109 291.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic (3S)-3-methyl-1-(6-oxo-1H-pyrazi…

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) -0.38 3.52 -52.52 1 7 -1 106 264.261 2 ↓
Hi High (pH 8-9.5) 0.08 1.5 -89.8 0 7 -2 109 263.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic (3R)-3-methyl-1-(6-oxo-1H-pyrazi…

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) -0.38 3.63 -52.99 1 7 -1 106 264.261 2 ↓
Hi High (pH 8-9.5) 0.08 1.53 -89.8 0 7 -2 109 263.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic (3S)-3-ethyl-1-(6-oxo-1H-pyrazin…

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 3.98 -51.06 1 7 -1 106 278.288 3 ↓
Hi High (pH 8-9.5) 0.41 1.95 -88.28 0 7 -2 109 277.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic (3R)-3-ethyl-1-(6-oxo-1H-pyrazin…

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 4.11 -51.56 1 7 -1 106 278.288 3 ↓
Hi High (pH 8-9.5) 0.41 2.02 -88.32 0 7 -2 109 277.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(6-oxo-1H-pyrazine-3-carb…

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 4.75 -51.81 1 7 -1 106 292.315 4 ↓
Hi High (pH 8-9.5) 0.97 2.72 -88.92 0 7 -2 109 291.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propyl-piperidine-3-carboxylic (3R)-1-(6-oxo-1H-pyrazine-3-carb…

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 4.86 -52.04 1 7 -1 106 292.315 4 ↓
Hi High (pH 8-9.5) 0.97 2.77 -88.88 0 7 -2 109 291.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one 5-[4-(2-aminoethyl)piperidine-1-…

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) -0.61 0.98 -52.74 4 6 1 94 251.31 3 ↓
Hi High (pH 8-9.5) -0.16 -1.14 -75.19 3 6 0 97 250.302 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-[2-(methylamino)ethyl]piperidine-1-carbonyl]-1H-pyrazin-2-one 5-[4-[2-(methylamino)ethyl]piper…

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) 0.37 2.75 -49.02 3 6 1 83 265.337 4 ↓
Hi High (pH 8-9.5) 0.82 0.74 -70.09 2 6 0 86 264.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-[2-(methylamino)ethyl]piperidine-1-carbonyl]-1H-pyrazin-2-one 5-[(2S)-2-[2-(methylamino)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) 0.31 2.81 -42.18 3 6 1 83 265.337 4 ↓
Hi High (pH 8-9.5) 0.76 0.72 -60.88 2 6 0 86 264.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-[2-(methylamino)ethyl]piperidine-1-carbonyl]-1H-pyrazin-2-one 5-[(2R)-2-[2-(methylamino)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) 0.31 2.68 -43.2 3 6 1 83 265.337 4 ↓
Hi High (pH 8-9.5) 0.76 0.68 -61.16 2 6 0 86 264.329 4 ↓

Parameters Provided:

ring.id = 109855
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 = 109855 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=109855&filter.purchasability=annotated

Embed Link to Results