UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-tetrahydropyran-4-yl-acetamide 2-[[(1R,8R)-2,3,5,6,7,8-hexahydr…

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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) 0.62 2.89 -38.21 3 5 1 55 268.381 4 ↓
Hi High (pH 8-9.5) 0.62 1.36 -43.43 3 5 1 58 268.381 4 ↓
Hi High (pH 8-9.5) 0.62 0.39 -7.4 2 5 0 54 267.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-tetrahydropyran-4-yl-acetamide 2-[[(1R,8S)-2,3,5,6,7,8-hexahydr…

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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) 0.62 2.31 -36.34 3 5 1 55 268.381 4 ↓
Hi High (pH 8-9.5) 0.62 -0.26 -8.38 2 5 0 54 267.373 4 ↓
Hi High (pH 8-9.5) 0.62 0.92 -43.63 3 5 1 58 268.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-tetrahydropyran-4-yl-acetamide 2-[[(1S,8R)-2,3,5,6,7,8-hexahydr…

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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) 0.62 2.35 -36.06 3 5 1 55 268.381 4 ↓
Hi High (pH 8-9.5) 0.62 -0.21 -8.54 2 5 0 54 267.373 4 ↓
Hi High (pH 8-9.5) 0.62 0.98 -43.78 3 5 1 58 268.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-tetrahydropyran-4-yl-acetamide 2-[[(1S,8S)-2,3,5,6,7,8-hexahydr…

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) 0.62 2.76 -38.03 3 5 1 55 268.381 4 ↓
Hi High (pH 8-9.5) 0.62 1.18 -43.93 3 5 1 58 268.381 4 ↓
Hi High (pH 8-9.5) 0.62 0.19 -7.17 2 5 0 54 267.373 4 ↓

Parameters Provided:

ring.id = 268899
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 = 268899 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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