UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

53660709
53660709
53660711
53660711
53660921
53660921
53660923
53660923
19843459
19843459

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-(4-piperidyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine N-methyl-2-(4-piperidyl)-N-[[(2S…

Find On: PubMed — Wikipedia — Google

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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) 1.38 6.06 -86.97 3 3 2 30 228.38 5 ↓
Hi High (pH 8-9.5) 1.38 3.66 -38.86 2 3 1 29 227.372 5 ↓

Analogs

53660709
53660709
53660711
53660711
53660921
53660921
53660923
53660923
19843459
19843459

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-(4-piperidyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ethanamine N-methyl-2-(4-piperidyl)-N-[[(2R…

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) 1.38 6.08 -87.14 3 3 2 30 228.38 5 ↓
Hi High (pH 8-9.5) 1.38 3.66 -38.84 2 3 1 29 227.372 5 ↓

Analogs

53660709
53660709
53660711
53660711
53660921
53660921
53660923
53660923
19843459
19843459

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-(4-piperidyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine N-ethyl-2-(4-piperidyl)-N-[[(2S)…

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) 1.75 6.75 -86.68 3 3 2 30 242.407 6 ↓

Analogs

42427592
42427592
42427593
42427593

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-(4-piperidyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ethanamine N-ethyl-2-(4-piperidyl)-N-[[(2R)…

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) 1.75 6.48 -85.4 3 3 2 30 242.407 6 ↓

Parameters Provided:

ring.id = 619963
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 = 619963 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=619963&filter.purchasability=annotated

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