UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

70012122
70012122
70012127
70012127
41363056
41363056
41363053
41363053
41363055
41363055

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylamino)-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-(cyclopropylmethylamino)-N-met…

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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) 0.34 5.19 -39.78 2 4 1 46 227.328 6 ↓
Hi High (pH 8-9.5) 0.34 3.82 -10.03 1 4 0 42 226.32 6 ↓

Analogs

70012122
70012122
70012127
70012127
41363056
41363056
41363053
41363053
41363055
41363055

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylamino)-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 2-(cyclopropylmethylamino)-N-met…

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) 0.34 4.86 -39.47 2 4 1 46 227.328 6 ↓
Hi High (pH 8-9.5) 0.34 3.5 -7.3 1 4 0 42 226.32 6 ↓

Analogs

70012122
70012122
70012127
70012127
41363056
41363056
41363053
41363053
41363055
41363055

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylamino)-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-(cyclopropylmethylamino)-N-eth…

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) 0.72 6.11 -39.27 2 4 1 46 241.355 7 ↓
Hi High (pH 8-9.5) 0.72 4.74 -9.53 1 4 0 42 240.347 7 ↓

Analogs

70012122
70012122
70012127
70012127
41363056
41363056
41363053
41363053
41363055
41363055

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylamino)-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 2-(cyclopropylmethylamino)-N-eth…

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) 0.72 5.78 -39.07 2 4 1 46 241.355 7 ↓
Hi High (pH 8-9.5) 0.72 4.42 -6.82 1 4 0 42 240.347 7 ↓

Parameters Provided:

ring.id = 32213
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 = 32213 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=32213&filter.purchasability=annotated

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