UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41201455
41201455

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-cyclohexyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine N-[(S)-cyclohexyl(4,5,6,7-tetrah…

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) 4.24 9.58 -32.92 2 2 1 29 291.484 4 ↓
Hi High (pH 8-9.5) 4.24 8.39 -4 1 2 0 25 290.476 4 ↓

Analogs

41201452
41201452

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-cyclohexyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine N-[(R)-cyclohexyl(4,5,6,7-tetrah…

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) 4.24 9.7 -34.37 2 2 1 29 291.484 4 ↓
Hi High (pH 8-9.5) 4.24 8.95 -4.41 1 2 0 25 290.476 4 ↓

Analogs

41201599
41201599
71163102
71163102
71163103
71163103
71163104
71163104
41201428
41201428

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclohexyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]cyclopropanamine N-[(1S)-1-cyclohexyl-1-(4,5,6,7-…

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) 4.68 9.88 -34.31 2 2 1 29 305.511 4 ↓
Hi High (pH 8-9.5) 4.68 8.73 -3.77 1 2 0 25 304.503 4 ↓

Analogs

71163102
71163102
71163103
71163103
71163104
71163104
41201428
41201428
41201431
41201431

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]cyclopropanamine N-[(1R)-1-cyclohexyl-1-(4,5,6,7-…

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) 4.68 9.79 -34.69 2 2 1 29 305.511 4 ↓
Hi High (pH 8-9.5) 4.68 8.71 -4.57 1 2 0 25 304.503 4 ↓

Parameters Provided:

ring.id = 521803
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 = 521803 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=521803&filter.purchasability=annotated

Embed Link to Results