UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43992646
43992646
43992648
43992648
43992650
43992650
43992652
43992652
43992911
43992911

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]cyclooctanamine N-[(1S,2R)-2-imidazol-1-ylcyclop…

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) 3.58 9.77 -37.1 2 3 1 34 262.421 3 ↓
Mid Mid (pH 6-8) 3.58 10.29 -103.4 3 3 2 36 263.429 3 ↓

Analogs

43992646
43992646
43992648
43992648
43992650
43992650
43992652
43992652
43992911
43992911

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-imidazol-1-ylcyclopentyl]cyclooctanamine N-[(1S,2S)-2-imidazol-1-ylcyclop…

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) 3.58 9.35 -46.09 2 3 1 34 262.421 3 ↓
Mid Mid (pH 6-8) 3.58 9.86 -98.83 3 3 2 36 263.429 3 ↓

Analogs

43992646
43992646
43992648
43992648
43992650
43992650
43992652
43992652
43992911
43992911

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]cyclooctanamine N-[(1R,2R)-2-imidazol-1-ylcyclop…

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) 3.58 9.35 -46.08 2 3 1 34 262.421 3 ↓
Mid Mid (pH 6-8) 3.58 9.86 -98.87 3 3 2 36 263.429 3 ↓

Analogs

43992646
43992646
43992648
43992648
43992650
43992650
43992652
43992652
43992911
43992911

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]cyclooctanamine N-[(1R,2S)-2-imidazol-1-ylcyclop…

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) 3.58 9.36 -37.55 2 3 1 34 262.421 3 ↓
Mid Mid (pH 6-8) 3.58 9.87 -101.43 3 3 2 36 263.429 3 ↓

Parameters Provided:

ring.id = 150252
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 = 150252 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=150252&filter.purchasability=annotated

Embed Link to Results