UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2788953
2788953
2788954
2788954
2788955
2788955
2789550
2789550
2789551
2789551

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-methyl-BLAH [(1R)-1-[5-cyclopropyl-3-(triflu…

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) 4.82 13.72 -11.21 0 6 0 61 446.502 4 ↓

Analogs

2788954
2788954
2788955
2788955
2789550
2789550
2789551
2789551
2796713
2796713

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-methyl-BLAH [(1R)-1-[5-cyclopropyl-3-(triflu…

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) 4.82 13.72 -11.2 0 6 0 61 446.502 4 ↓

Analogs

2788955
2788955
2789550
2789550
2789551
2789551
2796713
2796713
2796714
2796714

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-methyl-BLAH [(1S)-1-[5-cyclopropyl-3-(triflu…

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) 4.82 13.75 -11.22 0 6 0 61 446.502 4 ↓

Analogs

2789550
2789550
2789551
2789551
2789889
2789889
2796713
2796713
2796714
2796714

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-methyl-BLAH [(1S)-1-[5-cyclopropyl-3-(triflu…

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) 4.82 13.75 -11.2 0 6 0 61 446.502 4 ↓

Analogs

2789637
2789637
2789642
2789642
2789861
2789861
2789862
2789862
2789889
2789889

Draw Identity 99% 90% 80% 70%

Popular Name: [5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl-methyl-BLAH [5-cyclopropyl-3-(trifluoromethy…

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) 4.45 13.23 -10.81 0 6 0 61 432.475 4 ↓

Analogs

2789642
2789642
2789832
2789832
2789833
2789833
2789861
2789861
2789862
2789862

Draw Identity 99% 90% 80% 70%

Popular Name: [5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl-methyl-BLAH [5-cyclopropyl-3-(trifluoromethy…

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) 4.45 13.22 -11.78 0 6 0 61 432.475 4 ↓

Analogs

2789862
2789862
2789889
2789889
2796818
2796818
2797024
2797024
2788782
2788782

Draw Identity 99% 90% 80% 70%

Popular Name: [5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl-ethyl-BLAH [5-cyclopropyl-3-(trifluoromethy…

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) 4.96 13.89 -10.74 0 6 0 61 446.502 5 ↓

Analogs

2789889
2789889
2796818
2796818
2797024
2797024
2788782
2788782
2788842
2788842

Draw Identity 99% 90% 80% 70%

Popular Name: [5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl-ethyl-BLAH [5-cyclopropyl-3-(trifluoromethy…

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) 4.96 13.88 -11.66 0 6 0 61 446.502 5 ↓

Analogs

2796714
2796714
2788782
2788782
2788842
2788842

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]BLAH [(1S)-1-[5-cyclopropyl-3-(triflu…

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) 4.34 13.1 -11.75 0 6 0 61 432.475 4 ↓

Analogs

2788782
2788782
2788842
2788842

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]BLAH [(1R)-1-[5-cyclopropyl-3-(triflu…

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) 4.34 13.12 -11.65 0 6 0 61 432.475 4 ↓

Analogs

2788782
2788782
2788842
2788842

Draw Identity 99% 90% 80% 70%

Popular Name: [5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methylBLAH [5-cyclopropyl-3-(trifluoromethy…

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) 3.98 12.61 -12.24 0 6 0 61 418.448 4 ↓

Parameters Provided:

ring.id = 236397
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 = 236397 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=236397&filter.purchasability=annotated

Embed Link to Results