Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_s1tjskcol27c5i97nr86kuus13, 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-cycloheptyl-5-(3-hydroxyprop-1-ynyl)-N-methyl-pyridine-3-carboxamide N-cycloheptyl-5-(3-hydroxyprop-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) 1.63 5.27 -10.33 1 4 0 53 286.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cycloheptyl-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-cycloheptyl-5-(3-hydroxyprop-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) 1.85 3.78 -11.54 2 4 0 62 272.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cycloheptyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide N-cycloheptyl-5-(4-hydroxybut-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) 2.12 4.49 -9.81 2 4 0 62 286.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-(cycloheptylcarbamoyl)-3-pyridyl]prop-2-enoic (E)-3-[5-(cycloheptylcarbamoyl)-…

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) 2.08 6.75 -50.88 1 5 -1 82 287.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methyl-pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-cyclohe…

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) 1.06 6.06 -58.15 3 4 1 61 286.399 2 ↓
Mid Mid (pH 6-8) 1.06 5.65 -8.8 2 4 0 59 285.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-cycloheptyl-pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-cyclohe…

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) 1.29 4.49 -52.58 4 4 1 70 272.372 2 ↓
Mid Mid (pH 6-8) 1.29 4.09 -9.66 3 4 0 68 271.364 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-cyanocycloheptyl)-2-methoxy-pyridine-3-carboxamide N-(1-cyanocycloheptyl)-2-methoxy…

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) 2.51 4.22 -19.29 1 5 0 75 273.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-carbamothioylcycloheptyl)-2-methoxy-pyridine-3-carboxamide N-(1-carbamothioylcycloheptyl)-2…

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 4.14 -20.09 3 5 0 77 307.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cycloheptyl-6-fluoro-pyridine-3-carboxamide N-cycloheptyl-6-fluoro-pyridine-…

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) 2.81 4.92 -7.63 1 3 0 42 236.29 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cycloheptyl-6-fluoro-N-methyl-pyridine-3-carboxamide N-cycloheptyl-6-fluoro-N-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) 2.58 6.41 -9.67 0 3 0 33 250.317 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide 6-chloro-N-(1-cyanocycloheptyl)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) 3.18 5 -13.21 1 4 0 66 277.755 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-aminopropyl)-N-cycloheptyl-pyridine-3-carboxamide N-(3-aminopropyl)-N-cycloheptyl-…

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) 1.15 4.99 -49.4 3 4 1 61 276.404 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-cycloheptylpyridine-2,5-dicarboxamide N5-cycloheptylpyridine-2,5-dicar…

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) 1.19 1.81 -10.89 3 5 0 85 261.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-cycloheptyl-N5-methyl-pyridine-2,5-dicarboxamide N5-cycloheptyl-N5-methyl-pyridin…

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) 0.97 3.4 -10.17 2 5 0 76 275.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cycloheptyl-2-(isopropylamino)pyridine-3-carboxamide N-cycloheptyl-2-(isopropylamino)…

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) 3.12 6.9 -8.13 2 4 0 54 275.396 4 ↓

Parameters Provided:

ring.id = 3033
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 = 3033 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3033&filter.purchasability=annotated

Embed Link to Results