UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-indan-1-yl]amino]-1-pyrrolidin-1-yl-propan-1-one 3-[[(1R)-indan-1-yl]amino]-1-pyr…

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) 1.97 7.73 -47.67 2 3 1 37 259.373 4 ↓
Hi High (pH 8-9.5) 1.97 6.47 -10.74 1 3 0 32 258.365 4 ↓

Analogs

37142364
37142364
37142651
37142651
37142652
37142652
37142818
37142818
37142819
37142819

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-indan-1-yl]amino]-1-pyrrolidin-1-yl-propan-1-one 3-[[(1S)-indan-1-yl]amino]-1-pyr…

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) 1.97 7.65 -47.7 2 3 1 37 259.373 4 ↓
Hi High (pH 8-9.5) 1.97 6.35 -8.53 1 3 0 32 258.365 4 ↓

Parameters Provided:

ring.id = 24944
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 = 24944 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=24944&filter.purchasability=annotated

Embed Link to Results