UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34320729
34320729
34320730
34320730

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-isopropylpyrrolidin-3-yl]-1,3-benzothiazol-2-amine N-[(3S)-1-isopropylpyrrolidin-3-…

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) 3.17 8.06 -39.62 2 3 1 29 262.402 3 ↓
Hi High (pH 8-9.5) 3.17 5.65 -5.82 1 3 0 28 261.394 3 ↓

Analogs

41678475
41678475
41678477
41678477
34320729
34320729

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-isopropylpyrrolidin-3-yl]-1,3-benzothiazol-2-amine N-[(3R)-1-isopropylpyrrolidin-3-…

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) 3.17 7.96 -39.44 2 3 1 29 262.402 3 ↓
Hi High (pH 8-9.5) 3.17 5.61 -6.03 1 3 0 28 261.394 3 ↓

Parameters Provided:

ring.id = 547738
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 = 547738 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=547738&filter.purchasability=annotated

Embed Link to Results