UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[(3R)-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-yl]methyl]oxamide N-[[(3R)-1-[(2,3-dimethyl-1H-ind…

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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) 0.85 3.99 -46.08 5 6 1 92 329.424 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-yl]methyl]oxamide N-[[(3S)-1-[(2,3-dimethyl-1H-ind…

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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) 0.85 3.92 -46.2 5 6 1 92 329.424 5 ↓

Analogs

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Popular Name: (3R)-3-amino-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-amino-1-[(2,3-dimethyl-1H…

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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 6.63 -81.41 5 5 1 88 288.371 3 ↓
Mid Mid (pH 6-8) -0.62 4.2 -36.41 4 5 0 87 287.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-amino-1-[(2,3-dimethyl-1H…

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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 6.61 -79.07 5 5 1 88 288.371 3 ↓
Mid Mid (pH 6-8) -0.62 4.16 -40.05 4 5 0 87 287.363 3 ↓

Parameters Provided:

ring.id = 602505
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 = 602505 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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