UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S,2S)-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclopentanol (1S,2S)-2-[[methyl-[[(2S)-tetrah…

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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) 1.86 4.82 -30.67 2 3 1 34 228.356 4 ↓
Hi High (pH 8-9.5) 1.86 2.51 -3.6 1 3 0 33 227.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclopentanol (1S,2R)-2-[[methyl-[[(2S)-tetrah…

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) 1.86 4.64 -32.82 2 3 1 34 228.356 4 ↓
Hi High (pH 8-9.5) 1.86 2.37 -3.52 1 3 0 33 227.348 4 ↓

Analogs

42463783
42463783
42463784
42463784

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclopentanamine 1-[[methyl-[[(2S)-tetrahydropyra…

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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) 2.10 3.69 -37.32 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 2.10 5.29 -31.31 3 3 1 40 227.372 4 ↓

Analogs

42463783
42463783
42463784
42463784

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclopentanamine 1-[[methyl-[[(2R)-tetrahydropyra…

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) 2.10 3.37 -33.79 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 2.10 5 -31.93 3 3 1 40 227.372 4 ↓

Parameters Provided:

ring.id = 111471
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 = 111471 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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