UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44725935
44725935
44725936
44725936
44610225
44610225
44610226
44610226
44610263
44610263

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(1S,2R)-2-methylcyclohexoxy]ethyl]tetrazolo[1,5-a]pyrazin-5-amine N-[2-[(1S,2R)-2-methylcyclohexox…

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) 1.84 4.81 -9.6 1 7 0 77 276.344 5 ↓
Lo Low (pH 4.5-6) 1.84 5.28 -47.03 2 7 1 78 277.352 5 ↓

Analogs

44725935
44725935
44725936
44725936
44610225
44610225
44610226
44610226
44610263
44610263

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(1S,2S)-2-methylcyclohexoxy]ethyl]tetrazolo[1,5-a]pyrazin-5-amine N-[2-[(1S,2S)-2-methylcyclohexox…

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) 1.84 4.67 -9.75 1 7 0 77 276.344 5 ↓
Lo Low (pH 4.5-6) 1.84 5.14 -47.27 2 7 1 78 277.352 5 ↓

Analogs

44725935
44725935
44725936
44725936
44610225
44610225
44610226
44610226
44610263
44610263

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(1R,2R)-2-methylcyclohexoxy]ethyl]tetrazolo[1,5-a]pyrazin-5-amine N-[2-[(1R,2R)-2-methylcyclohexox…

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) 1.84 4.67 -9.59 1 7 0 77 276.344 5 ↓
Lo Low (pH 4.5-6) 1.84 5.14 -47.02 2 7 1 78 277.352 5 ↓

Analogs

44725935
44725935
44725936
44725936
44610225
44610225
44610226
44610226
44610263
44610263

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(1R,2S)-2-methylcyclohexoxy]ethyl]tetrazolo[1,5-a]pyrazin-5-amine N-[2-[(1R,2S)-2-methylcyclohexox…

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) 1.84 4.81 -9.47 1 7 0 77 276.344 5 ↓
Lo Low (pH 4.5-6) 1.84 5.28 -46.93 2 7 1 78 277.352 5 ↓

Parameters Provided:

ring.id = 295824
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 = 295824 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=295824&filter.purchasability=annotated

Embed Link to Results