UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37024059
37024059
37024057
37024057

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(R)-cyclopropyl(phenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(R)-cyclopropyl(phenyl)m…

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) 2.43 9.32 -38.96 2 3 1 34 282.411 4 ↓

Analogs

37024059
37024059
37024057
37024057

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(R)-cyclopropyl(phenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(R)-cyclopropyl(phenyl)m…

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) 2.43 9.09 -38.42 2 3 1 34 282.411 4 ↓

Analogs

37024059
37024059
37024057
37024057

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(S)-cyclopropyl(phenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(S)-cyclopropyl(phenyl)m…

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) 2.43 9.21 -38.92 2 3 1 34 282.411 4 ↓

Analogs

37024059
37024059
37024057
37024057

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(S)-cyclopropyl(phenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(S)-cyclopropyl(phenyl)m…

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) 2.43 9.53 -38.77 2 3 1 34 282.411 4 ↓

Parameters Provided:

ring.id = 135723
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 = 135723 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=135723&filter.purchasability=annotated

Embed Link to Results