UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[(3R)-1-[(6-ethoxyindan-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide N-[[(3R)-1-[(6-ethoxyindan-5-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) 2.17 8.97 -40.06 2 4 1 43 317.453 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-[(6-ethoxyindan-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide N-[[(3S)-1-[(6-ethoxyindan-5-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) 2.17 8.79 -39.65 2 4 1 43 317.453 6 ↓

Analogs

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Popular Name: (3R)-3-amino-1-[(6-ethoxyindan-5-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-amino-1-[(6-ethoxyindan-5…

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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) -0.61 7.76 -77.09 4 5 1 81 305.398 5 ↓
Lo Low (pH 4.5-6) -0.61 5.22 -36.45 3 5 0 80 304.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-1-[(6-ethoxyindan-5-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-amino-1-[(6-ethoxyindan-5…

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) -0.61 7.62 -71.54 4 5 1 81 305.398 5 ↓
Lo Low (pH 4.5-6) -0.61 5.15 -37.77 3 5 0 80 304.39 5 ↓

Parameters Provided:

ring.id = 30711
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 = 30711 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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