UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R,8R)-N-[(1S)-2-(2-furyl)-1-methyl-ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(1S)-2-(2-furyl)-1-me…

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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) 2.03 4.65 -33.66 2 3 1 33 235.351 4 ↓
Hi High (pH 8-9.5) 2.03 4.15 -2.96 1 3 0 28 234.343 4 ↓
Mid Mid (pH 6-8) 2.03 6.64 -31.46 2 3 1 30 235.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8R)-N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(1R)-2-(2-furyl)-1-me…

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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) 2.03 5 -35.99 2 3 1 33 235.351 4 ↓
Hi High (pH 8-9.5) 2.03 4.31 -3.3 1 3 0 28 234.343 4 ↓
Mid Mid (pH 6-8) 2.03 6.8 -32.48 2 3 1 30 235.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8R)-N-[(1S)-2-(2-furyl)-1-methyl-ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-[(1S)-2-(2-furyl)-1-me…

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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) 2.03 4.63 -35.09 2 3 1 33 235.351 4 ↓
Hi High (pH 8-9.5) 2.03 3.64 -3.09 1 3 0 28 234.343 4 ↓
Mid Mid (pH 6-8) 2.03 6.16 -30.71 2 3 1 30 235.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8R)-N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-[(1R)-2-(2-furyl)-1-me…

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) 2.03 4.46 -36.36 2 3 1 33 235.351 4 ↓
Hi High (pH 8-9.5) 2.03 3.55 -3.32 1 3 0 28 234.343 4 ↓
Mid Mid (pH 6-8) 2.03 6.06 -32.71 2 3 1 30 235.351 4 ↓

Parameters Provided:

ring.id = 269554
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 = 269554 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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