Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_igventt2k235jnhcjma09iemr1, 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: 1-[3-(2-formylpyrrol-1-yl)propanoyl]piperidine-4-carboxamide 1-[3-(2-formylpyrrol-1-yl)propan…

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) 0.08 3.49 -17.64 2 6 0 85 277.324 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[3-(2-formylpyrrol-1-yl)propanoyl]piperidine-3-carboxylic (3S)-1-[3-(2-formylpyrrol-1-yl)p…

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 7.36 -54.37 0 6 -1 82 277.3 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[3-(2-formylpyrrol-1-yl)propanoyl]piperidine-3-carboxylic (3R)-1-[3-(2-formylpyrrol-1-yl)p…

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 7.32 -54.19 0 6 -1 82 277.3 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(3S,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-propyl]pyrrole-2-carbaldehyde 1-[3-[(3S,5R)-3,5-dimethyl-1-pip…

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) 2.20 8.01 -10.19 0 4 0 42 262.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-oxo-propyl]pyrrole-2-carbaldehyde 1-[3-[(3S,5S)-3,5-dimethyl-1-pip…

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) 2.20 8.25 -10.3 0 4 0 42 262.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-propyl]pyrrole-2-carbaldehyde 1-[3-[(3R,5R)-3,5-dimethyl-1-pip…

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) 2.20 8.25 -10.02 0 4 0 42 262.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(2-formylpyrrol-1-yl)propanoyl]piperidine-4-carboxylic 1-[3-(2-formylpyrrol-1-yl)propan…

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 7.4 -52.73 0 6 -1 82 277.3 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(2R)-2-ethyl-1-piperidyl]-3-oxo-propyl]pyrrole-2-carbaldehyde 1-[3-[(2R)-2-ethyl-1-piperidyl]-…

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 8.04 -9.78 0 4 0 42 262.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(2S)-2-ethyl-1-piperidyl]-3-oxo-propyl]pyrrole-2-carbaldehyde 1-[3-[(2S)-2-ethyl-1-piperidyl]-…

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 8.05 -9.67 0 4 0 42 262.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(2R)-2-(2-hydroxyethyl)-1-piperidyl]-3-oxo-propyl]pyrrole-2-carbaldehyde 1-[3-[(2R)-2-(2-hydroxyethyl)-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) 1.10 4.73 -13.09 1 5 0 63 278.352 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(2S)-2-(2-hydroxyethyl)-1-piperidyl]-3-oxo-propyl]pyrrole-2-carbaldehyde 1-[3-[(2S)-2-(2-hydroxyethyl)-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) 1.10 4.72 -12.92 1 5 0 63 278.352 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(3R)-3-methyl-1-piperidyl]-3-oxo-propyl]pyrrole-2-carbaldehyde 1-[3-[(3R)-3-methyl-1-piperidyl]…

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) 1.72 7.42 -10.61 0 4 0 42 248.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(3S)-3-methyl-1-piperidyl]-3-oxo-propyl]pyrrole-2-carbaldehyde 1-[3-[(3S)-3-methyl-1-piperidyl]…

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) 1.72 7.42 -10.59 0 4 0 42 248.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(4-methyl-1-piperidyl)-3-oxo-propyl]pyrrole-2-carbaldehyde 1-[3-(4-methyl-1-piperidyl)-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) 1.72 7.44 -10.43 0 4 0 42 248.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(2S,6R)-2,6-dimethyl-1-piperidyl]-3-oxo-propyl]pyrrole-2-carbaldehyde 1-[3-[(2S,6R)-2,6-dimethyl-1-pip…

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) 2.14 7.63 -9.51 0 4 0 42 262.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(2S,6S)-2,6-dimethyl-1-piperidyl]-3-oxo-propyl]pyrrole-2-carbaldehyde 1-[3-[(2S,6S)-2,6-dimethyl-1-pip…

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) 2.14 7.99 -9.53 0 4 0 42 262.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(2R,6R)-2,6-dimethyl-1-piperidyl]-3-oxo-propyl]pyrrole-2-carbaldehyde 1-[3-[(2R,6R)-2,6-dimethyl-1-pip…

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) 2.14 8.02 -9.44 0 4 0 42 262.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(2R)-2-methyl-1-piperidyl]-3-oxo-propyl]pyrrole-2-carbaldehyde 1-[3-[(2R)-2-methyl-1-piperidyl]…

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) 1.81 7.46 -9.83 0 4 0 42 248.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(2S)-2-methyl-1-piperidyl]-3-oxo-propyl]pyrrole-2-carbaldehyde 1-[3-[(2S)-2-methyl-1-piperidyl]…

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) 1.81 7.45 -9.75 0 4 0 42 248.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-oxo-3-(1-piperidyl)propyl]pyrrole-2-carbaldehyde 1-[3-oxo-3-(1-piperidyl)propyl]p…

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) 1.48 6.83 -10.59 0 4 0 42 234.299 4 ↓

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) 1.21 7.46 -15.08 0 6 0 69 292.335 6 ↓

Parameters Provided:

ring.id = 32011
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 = 32011 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=32011&filter.purchasability=annotated

Embed Link to Results