UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11817039
11817039

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-6-[(3R)-3-(methoxymethyl)-1-piperidyl]-[1,2,5]oxadiazolo[3,4-e]pyrazin-5-amine N-cyclopentyl-6-[(3R)-3-(methoxy…

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) 2.85 -2.48 -7.92 1 8 0 89 332.408 5 ↓

Analogs

11817038
11817038

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-6-[(3S)-3-(methoxymethyl)-1-piperidyl]-[1,2,5]oxadiazolo[3,4-e]pyrazin-5-amine N-cyclopentyl-6-[(3S)-3-(methoxy…

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) 2.85 -2.59 -7.3 1 8 0 89 332.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[6-(cyclopentylamino)-[1,2,5]oxadiazolo[3,4-e]pyrazin-5-yl]-4-piperidyl]methanol [1-[6-(cyclopentylamino)-[1,2,5]…

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) 2.24 -4.77 -9.45 2 8 0 100 318.381 4 ↓

Analogs

12021174
12021174

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-[6-(cyclopentylamino)-[1,2,5]oxadiazolo[3,4-e]pyrazin-5-yl]-3-piperidyl]methanol [(3R)-1-[6-(cyclopentylamino)-[1…

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) 2.24 -4.81 -7.93 2 8 0 100 318.381 4 ↓

Analogs

12021167
12021167

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-[6-(cyclopentylamino)-[1,2,5]oxadiazolo[3,4-e]pyrazin-5-yl]-3-piperidyl]methanol [(3S)-1-[6-(cyclopentylamino)-[1…

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) 2.24 -4.79 -7.82 2 8 0 100 318.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-6-[4-(methoxymethyl)-1-piperidyl]-[1,2,5]oxadiazolo[3,4-e]pyrazin-5-amine N-cyclopentyl-6-[4-(methoxymethy…

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) 2.85 -2.55 -8.51 1 8 0 89 332.408 5 ↓

Parameters Provided:

ring.id = 49751
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 = 49751 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=49751&filter.purchasability=annotated

Embed Link to Results