Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_gk706l4h7co6avnje9ignvqfq1, 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: [2-(3-methylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine [2-(3-methylpyrazol-1-yl)-6,7-di…

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) 1.42 6.05 -38.38 3 4 1 58 229.307 2 ↓
Mid Mid (pH 6-8) 1.42 5.58 -8.64 2 4 0 57 228.299 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3-isopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine [2-(3-isopropylpyrazol-1-yl)-6,7…

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) 2.48 7.32 -38.05 3 4 1 58 257.361 3 ↓
Mid Mid (pH 6-8) 2.48 6.93 -7.17 2 4 0 57 256.353 3 ↓

Analogs

43405602
43405602
43405610
43405610
43405620
43405620
43405630
43405630
43405634
43405634

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-methylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-(3-methylpyrazol-1-yl)-6,7-dih…

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) 1.99 7.8 -11.5 0 4 0 55 224.267 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-isopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-(3-isopropylpyrazol-1-yl)-6,7-…

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) 3.04 9.06 -11.41 0 4 0 55 252.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-methylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-(3-methylpyrazol-1-yl)-6,7-dih…

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) 2.03 6.64 -18.04 2 4 0 57 258.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-isopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-(3-isopropylpyrazol-1-yl)-6,7-…

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) 3.09 7.99 -17.4 2 4 0 57 286.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-hydroxy-2-(3-methylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine N'-hydroxy-2-(3-methylpyrazol-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) 0.55 4.91 -13.33 3 6 0 89 257.297 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-hydroxy-2-(3-isopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine N'-hydroxy-2-(3-isopropylpyrazol…

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) 1.60 6.18 -12.92 3 6 0 89 285.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-methylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine 2-(3-methylpyrazol-1-yl)-6,7-dih…

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) 0.62 5.03 -29.63 4 5 1 82 242.306 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-isopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine 2-(3-isopropylpyrazol-1-yl)-6,7-…

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) 1.68 6.3 -29.34 4 5 1 82 270.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methyl-pyrazole-3-carboxamide 1-[3-(aminomethyl)-6,7-dihydro-5…

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) 0.63 3.71 -49.69 4 6 1 87 272.332 3 ↓
Mid Mid (pH 6-8) 0.63 3.31 -10.05 3 6 0 86 271.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethyl-pyrazole-3-carboxamide 1-[3-(aminomethyl)-6,7-dihydro-5…

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) 0.87 5.98 -51.3 3 6 1 79 286.359 3 ↓
Mid Mid (pH 6-8) 0.87 5.66 -12.37 2 6 0 77 285.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-pyrazole-3-carboxamide 1-(3-cyano-6,7-dihydro-5H-cyclop…

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) 1.20 5.46 -12.33 1 6 0 84 267.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N,N-dimethyl-pyrazole-3-carboxamide 1-(3-cyano-6,7-dihydro-5H-cyclop…

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) 1.44 7.68 -12.32 0 6 0 75 281.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-carbamothioyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)pyrazole-3-carboxamide 1-(3-carbamothioyl-6,7-dihydro-5…

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) 0.87 2.83 -21.26 4 6 0 100 287.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-carbamothioyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-pyrazole-3-carboxamide 1-(3-carbamothioyl-6,7-dihydro-5…

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) 1.24 4.33 -21.87 3 6 0 86 301.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-carbamothioyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)pyrazole-4-carboxamide 1-(3-carbamothioyl-6,7-dihydro-5…

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) 0.56 2.89 -20.47 4 6 0 100 287.348 3 ↓

Parameters Provided:

ring.id = 28563
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 = 28563 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=28563&filter.purchasability=annotated

Embed Link to Results