UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(2-hydroxy-3-pyridyl)methanone [(3aR,7aS)-2,3,3a,4,5,6,7,7a-oct…

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) 1.18 5.05 -22.84 1 4 0 53 246.31 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(2-hydroxy-3-pyridyl)methanone [(3aS,7aS)-2,3,3a,4,5,6,7,7a-oct…

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) 1.18 5.09 -22.01 1 4 0 53 246.31 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(2-hydroxy-3-pyridyl)methanone [(3aR,7aR)-2,3,3a,4,5,6,7,7a-oct…

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) 1.18 5.1 -22.31 1 4 0 53 246.31 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(2-hydroxy-3-pyridyl)methanone [(3aS,7aR)-2,3,3a,4,5,6,7,7a-oct…

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) 1.18 5.07 -22.78 1 4 0 53 246.31 1 ↓

Parameters Provided:

ring.id = 185713
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 = 185713 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=185713&filter.purchasability=annotated

Embed Link to Results