UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43966426
43966426
43966428
43966428
43966705
43966705
43966707
43966707

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1-piperidyl)-N-[[(2S)-tetrahydropyran-2-yl]methyl]propan-1-amine (2S)-2-(1-piperidyl)-N-[[(2S)-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) 1.89 5.72 -29.92 2 3 1 26 241.399 5 ↓
Mid Mid (pH 6-8) 1.89 7.18 -111.9 3 3 2 30 242.407 5 ↓
Mid Mid (pH 6-8) 1.89 5.29 -34.58 2 3 1 29 241.399 5 ↓

Analogs

43966426
43966426
43966428
43966428
43966705
43966705
43966707
43966707

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1-piperidyl)-N-[[(2S)-tetrahydropyran-2-yl]methyl]propan-1-amine (2R)-2-(1-piperidyl)-N-[[(2S)-te…

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) 1.89 5.9 -27.44 2 3 1 26 241.399 5 ↓
Mid Mid (pH 6-8) 1.89 5.3 -34.96 2 3 1 29 241.399 5 ↓
Mid Mid (pH 6-8) 1.89 7.18 -110.83 3 3 2 30 242.407 5 ↓

Analogs

43966426
43966426
43966428
43966428
43966705
43966705
43966707
43966707

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1-piperidyl)-N-[[(2R)-tetrahydropyran-2-yl]methyl]propan-1-amine (2S)-2-(1-piperidyl)-N-[[(2R)-te…

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) 1.89 5.83 -27.6 2 3 1 26 241.399 5 ↓
Mid Mid (pH 6-8) 1.89 7.2 -109.99 3 3 2 30 242.407 5 ↓
Mid Mid (pH 6-8) 1.89 5.31 -34.78 2 3 1 29 241.399 5 ↓

Analogs

43966426
43966426
43966428
43966428
43966705
43966705
43966707
43966707

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1-piperidyl)-N-[[(2R)-tetrahydropyran-2-yl]methyl]propan-1-amine (2R)-2-(1-piperidyl)-N-[[(2R)-te…

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) 1.89 6 -27.48 2 3 1 26 241.399 5 ↓
Mid Mid (pH 6-8) 1.89 7.21 -111.54 3 3 2 30 242.407 5 ↓
Mid Mid (pH 6-8) 1.89 5.35 -34.34 2 3 1 29 241.399 5 ↓

Parameters Provided:

ring.id = 13372
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 = 13372 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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