Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_nffcjhnqf4umf3gd39hoj5f834, 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: 4-chloro-1-(2-pyrazol-1-ylethyl)pyrazol-3-amine 4-chloro-1-(2-pyrazol-1-ylethyl)…

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) 0.67 3.51 -8.48 2 5 0 62 211.656 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-nitro-1-(2-pyrazol-1-ylethyl)pyrazole 4-chloro-3-nitro-1-(2-pyrazol-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) 1.15 6.29 -12.98 0 7 0 81 241.638 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(2-pyrazol-1-ylethyl)pyrazol-3-amine 4-methyl-1-(2-pyrazol-1-ylethyl)…

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) 0.44 3.7 -9.35 2 5 0 62 191.238 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-pyrazol-1-ylethyl)pyrazol-4-amine 1-(2-pyrazol-1-ylethyl)pyrazol-4…

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) -0.13 1.99 -8.27 2 5 0 62 177.211 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazol-4-amine 3,5-dimethyl-1-(2-pyrazol-1-ylet…

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) 0.32 3.12 -9.88 2 5 0 62 205.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-pyrazol-1-ylethyl)pyrazol-3-amine 1-(2-pyrazol-1-ylethyl)pyrazol-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) 0.07 3 -9.56 2 5 0 62 177.211 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-(2-pyrazol-1-ylethyl)pyrazol-3-amine 4-bromo-1-(2-pyrazol-1-ylethyl)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) 0.81 3.62 -8.44 2 5 0 62 256.107 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylic 1-(2-pyrazol-1-ylethyl)pyrazole-…

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) -0.04 4.75 -48.61 0 6 -1 76 205.197 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylic 3,5-dimethyl-1-(2-pyrazol-1-ylet…

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) 0.40 5.66 -49.55 0 6 -1 76 233.251 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]acetic 2-[3,5-dimethyl-1-(2-pyrazol-1-y…

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) 0.26 6.42 -49.06 0 6 -1 76 247.278 5 ↓
Lo Low (pH 4.5-6) 0.26 6.55 -40.77 1 6 0 77 248.286 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carbaldehyde 3,5-dimethyl-1-(2-pyrazol-1-ylet…

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 4.94 -14.76 0 5 0 53 218.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methanol [3,5-dimethyl-1-(2-pyrazol-1-yle…

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) 0.17 2.4 -11.92 1 5 0 56 220.276 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methanamine [3,5-dimethyl-1-(2-pyrazol-1-yle…

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) 0.02 3.12 -53.95 3 5 1 63 220.3 4 ↓
Hi High (pH 8-9.5) 0.02 2.71 -10.37 2 5 0 62 219.292 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-N-methyl-methanamine 1-[3,5-dimethyl-1-(2-pyrazol-1-y…

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) 0.39 4.99 -48.46 2 5 1 52 234.327 5 ↓
Hi High (pH 8-9.5) 0.39 3.54 -9.06 1 5 0 48 233.319 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]ethanamine N-[[3,5-dimethyl-1-(2-pyrazol-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) 0.77 5.89 -43.39 2 5 1 52 248.354 6 ↓
Hi High (pH 8-9.5) 0.77 4.53 -6.65 1 5 0 48 247.346 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]propan-1-amine N-[[3,5-dimethyl-1-(2-pyrazol-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) 1.27 6.64 -44.25 2 5 1 52 262.381 7 ↓
Hi High (pH 8-9.5) 1.27 5.28 -6.52 1 5 0 48 261.373 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]propan-2-amine N-[[3,5-dimethyl-1-(2-pyrazol-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) 1.06 6.37 -45.81 2 5 1 52 262.381 6 ↓
Hi High (pH 8-9.5) 1.06 5.15 -8.62 1 5 0 48 261.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-(2-pyrazol-1-ylethyl)pyrazole 4-bromo-1-(2-pyrazol-1-ylethyl)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) 1.20 4.74 -7.49 0 4 0 36 241.092 3 ↓

Parameters Provided:

ring.id = 203488
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 = 203488 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=203488&filter.purchasability=annotated

Embed Link to Results