UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 1.21 3.84 -39.24 2 5 1 55 225.316 5 ↓
Hi High (pH 8-9.5) 1.21 1.58 -9.74 1 5 0 54 224.308 5 ↓
Hi High (pH 8-9.5) 1.21 3.31 -51.95 2 5 1 59 225.316 5 ↓

Analogs

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

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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) 1.21 3.76 -43.2 2 5 1 55 225.316 5 ↓
Hi High (pH 8-9.5) 1.21 3.32 -49.93 2 5 1 59 225.316 5 ↓
Hi High (pH 8-9.5) 1.21 1.98 -7.92 1 5 0 54 224.308 5 ↓

Parameters Provided:

ring.id = 460070
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 = 460070 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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