UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16352697
16352697
16352699
16352699
2290379
2290379

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Popular Name: 2-(cyclopropylamino)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acet 2-(cyclopropylamino)-N-[[(2R)-te…

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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) 0.56 5.52 -33.02 2 5 1 55 283.392 7 ↓
Hi High (pH 8-9.5) 0.56 4.23 -11.64 1 5 0 51 282.384 7 ↓

Analogs

16352697
16352697
16352699
16352699
2290379
2290379

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylamino)-N,N-bis[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-(cyclopropylamino)-N,N-bis[[(2…

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) 0.56 5.74 -34.17 2 5 1 55 283.392 7 ↓
Hi High (pH 8-9.5) 0.56 4.45 -12.16 1 5 0 51 282.384 7 ↓

Analogs

16352697
16352697
16352699
16352699
2290379
2290379

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylamino)-N,N-bis[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 2-(cyclopropylamino)-N,N-bis[[(2…

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) 0.56 5.3 -39.47 2 5 1 55 283.392 7 ↓
Hi High (pH 8-9.5) 0.56 4.02 -8.51 1 5 0 51 282.384 7 ↓

Parameters Provided:

ring.id = 578626
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 = 578626 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=578626&filter.purchasability=annotated

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