UCSF
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Analogs

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Popular Name: (1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-thienyl)ethanamine (1S)-N-[(4-methyl-1,2,5-oxadiazo…

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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) 1.96 4.34 -53.8 2 4 1 56 224.309 4 ↓
Mid Mid (pH 6-8) 1.96 3.2 -11.11 1 4 0 51 223.301 4 ↓

Analogs

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Popular Name: (1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-thienyl)ethanamine (1R)-N-[(4-methyl-1,2,5-oxadiazo…

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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) 1.96 4.33 -53.5 2 4 1 56 224.309 4 ↓
Mid Mid (pH 6-8) 1.96 3.16 -9.44 1 4 0 51 223.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(3-thienylmethyl)methanamine 1-(4-methyl-1,2,5-oxadiazol-3-yl…

Find On: PubMed — Wikipedia — Google

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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) 1.40 3.71 -56.95 2 4 1 56 210.282 4 ↓
Mid Mid (pH 6-8) 1.40 2.35 -10.78 1 4 0 51 209.274 4 ↓

Parameters Provided:

ring.id = 460325
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 = 460325 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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