UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-cyclopropyl-2-[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]pyrrolidin-3-amine (2S,3R)-1-cyclopropyl-2-[5-[(1S,…

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) 1.74 7.36 -29.2 3 3 1 44 247.362 3 ↓
Lo Low (pH 4.5-6) 1.74 7.59 -103.82 4 3 2 45 248.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-cyclopropyl-2-[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]pyrrolidin-3-amine (2S,3R)-1-cyclopropyl-2-[5-[(1S,…

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) 1.74 7.34 -29.35 3 3 1 44 247.362 3 ↓
Lo Low (pH 4.5-6) 1.74 7.57 -102.58 4 3 2 45 248.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-cyclopropyl-2-[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]pyrrolidin-3-amine (2S,3R)-1-cyclopropyl-2-[5-[(1R,…

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) 1.74 7.35 -29.28 3 3 1 44 247.362 3 ↓
Lo Low (pH 4.5-6) 1.74 7.58 -102.62 4 3 2 45 248.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-cyclopropyl-2-[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]pyrrolidin-3-amine (2S,3R)-1-cyclopropyl-2-[5-[(1R,…

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) 1.74 7.2 -29.2 3 3 1 44 247.362 3 ↓
Lo Low (pH 4.5-6) 1.74 7.43 -102.65 4 3 2 45 248.37 3 ↓

Parameters Provided:

ring.id = 532620
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 = 532620 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=532620&filter.purchasability=annotated

Embed Link to Results