UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine N-[3-[3-(trifluoromethyl)pyrazol…

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) 2.98 6.85 -45.86 2 3 1 34 262.299 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]cyclopentanamine N-[3-(4-bromo-3,5-dimethyl-pyraz…

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) 3.02 7.53 -44.89 2 3 1 34 301.252 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]cyclopentanamine N-[3-(4-chloro-3,5-dimethyl-pyra…

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) 2.89 7.44 -44.93 2 3 1 34 256.801 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-chloropyrazol-1-yl)propyl]cyclopentanamine N-[3-(4-chloropyrazol-1-yl)propy…

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) 2.45 6.39 -42.98 2 3 1 34 228.747 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-bromopyrazol-1-yl)propyl]cyclopentanamine N-[3-(4-bromopyrazol-1-yl)propyl…

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 6.5 -42.94 2 3 1 34 273.198 5 ↓

Analogs

42410497
42410497

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine N-[3-(3,4,5-trimethylpyrazol-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) 2.66 7.57 -43.89 2 3 1 34 236.383 5 ↓

Analogs

42410524
42410524

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)propyl]cyclopentanamine N-[3-(4-ethyl-3,5-dimethyl-pyraz…

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) 3.13 8.31 -43.58 2 3 1 34 250.41 6 ↓

Analogs

51686791
51686791
51857853
51857853
35765008
35765008
35765010
35765010

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-aminopyrazol-1-yl)-3-[cyclopentyl(methyl)amino]propan-2-ol (2S)-1-(4-aminopyrazol-1-yl)-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) 0.58 2.63 -39.45 4 5 1 69 239.343 5 ↓

Analogs

51686791
51686791
51857853
51857853
35765008
35765008
35765010
35765010

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-aminopyrazol-1-yl)-3-[cyclopentyl(methyl)amino]propan-2-ol (2R)-1-(4-aminopyrazol-1-yl)-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) 0.58 2.73 -39.32 4 5 1 69 239.343 5 ↓

Parameters Provided:

ring.id = 75182
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 = 75182 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=75182&filter.purchasability=annotated

Embed Link to Results