UCSF
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Analogs

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Popular Name: (3R)-3-amino-1-[(8-methoxy-2H-chromen-3-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-amino-1-[(8-methoxy-2H-ch…

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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) -1.00 3.15 -48.34 3 6 0 89 304.346 4 ↓
Lo Low (pH 4.5-6) -1.00 5.61 -88.92 4 6 1 91 305.354 4 ↓

Analogs

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Popular Name: (3S)-3-amino-1-[(8-methoxy-2H-chromen-3-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-amino-1-[(8-methoxy-2H-ch…

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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) -1.00 3.26 -51.65 3 6 0 89 304.346 4 ↓
Lo Low (pH 4.5-6) -1.00 5.77 -88.99 4 6 1 91 305.354 4 ↓

Analogs

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Popular Name: (2S,4R)-4-amino-1-[(6-chloro-2H-chromen-3-yl)methyl]-N,N-diethyl-pyrrolidine-2-carboxamide (2S,4R)-4-amino-1-[(6-chloro-2H-…

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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) 2.06 5.8 -59.92 3 5 1 60 364.897 5 ↓
Hi High (pH 8-9.5) 2.06 5.51 -9.47 2 5 0 59 363.889 5 ↓

Parameters Provided:

ring.id = 579648
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 = 579648 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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