UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43608539
43608539
43608542
43608542
43608545
43608545

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Popular Name: N-[(R)-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2-furyl)methyl]propan-1-amine N-[(R)-[(3R)-2,3-dihydro-1,4-ben…

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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) 2.96 7.13 -40.49 2 4 1 48 274.34 5 ↓

Analogs

43608542
43608542
43608545
43608545
43608536
43608536

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2-furyl)methyl]propan-1-amine N-[(S)-[(3R)-2,3-dihydro-1,4-ben…

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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) 2.96 6.93 -41.66 2 4 1 48 274.34 5 ↓
Hi High (pH 8-9.5) 2.96 5.67 -8.07 1 4 0 44 273.332 5 ↓

Analogs

43608545
43608545
43608536
43608536
43608539
43608539

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2-furyl)methyl]propan-1-amine N-[(R)-[(3S)-2,3-dihydro-1,4-ben…

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) 2.96 6.94 -41.64 2 4 1 48 274.34 5 ↓
Hi High (pH 8-9.5) 2.96 5.75 -6.87 1 4 0 44 273.332 5 ↓

Analogs

43608536
43608536
43608539
43608539
43608542
43608542

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2-furyl)methyl]propan-1-amine N-[(S)-[(3S)-2,3-dihydro-1,4-ben…

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) 2.96 7.16 -40.77 2 4 1 48 274.34 5 ↓
Hi High (pH 8-9.5) 2.96 5.89 -8.18 1 4 0 44 273.332 5 ↓

Parameters Provided:

ring.id = 1717
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 = 1717 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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