UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37807181
37807181
37807182
37807182
43411189
43411189
43411190
43411190

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Popular Name: N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxo-ethyl]-[(1R)-1,2-dimethylpropyl]amino]acetamide N-cyclopropyl-2-[[2-(cyclopropyl…

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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) 1.74 5.06 -43.25 3 5 1 63 282.408 8 ↓
Hi High (pH 8-9.5) 1.74 2.81 -17.02 2 5 0 61 281.4 8 ↓

Analogs

37807181
37807181
37807182
37807182
43411189
43411189
43411190
43411190

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxo-ethyl]-[(1S)-1,2-dimethylpropyl]amino]acetamide N-cyclopropyl-2-[[2-(cyclopropyl…

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) 1.74 4.33 -40 3 5 1 63 282.408 8 ↓
Hi High (pH 8-9.5) 1.74 4.21 -14.71 2 5 0 61 281.4 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxo-ethyl]amino]-N-methyl-acetamide N-cyclopropyl-2-[[2-(cyclopropyl…

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 2.78 -50.75 3 5 1 66 226.3 6 ↓
Mid Mid (pH 6-8) -0.56 1.44 -17.34 2 5 0 61 225.292 6 ↓

Parameters Provided:

ring.id = 526050
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 = 526050 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=526050&filter.purchasability=annotated

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