UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39296813
39296813
39296801
39296801
39292855
39292855

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Popular Name: 2-[3-(1-piperidyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 2-[3-(1-piperidyl)propanoylamino…

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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) 2.03 5.68 -45.23 4 5 1 77 336.481 5 ↓

Analogs

710217
710217

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Popular Name: ethyl ethyl

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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) 3.90 0.47 -43.72 2 5 1 59 379.546 7 ↓

Analogs

710217
710217

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Popular Name: ethyl ethyl

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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) 3.90 0.47 -43.71 2 5 1 59 379.546 7 ↓

Analogs

3210344
3210344
42171643
42171643
42171645
42171645

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Popular Name: methyl methyl

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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) 3.29 0.5 -45.15 2 5 1 59 365.519 6 ↓

Analogs

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Popular Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-methanesulfonamido-1-piperidyl)propanamide N-(3-cyano-4,5,6,7-tetrahydroben…

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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) 1.61 5.37 -58.88 3 7 1 103 411.573 6 ↓

Parameters Provided:

ring.id = 112634
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 = 112634 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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