UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-1-indan-5-ylsulfonylpiperidine-3-carboxylic (3R)-1-indan-5-ylsulfonylpiperid…

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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) 1.69 5.97 -51.07 0 5 -1 78 308.379 3 ↓

Analogs

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Popular Name: (3S)-1-indan-5-ylsulfonylpiperidine-3-carboxylic (3S)-1-indan-5-ylsulfonylpiperid…

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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) 1.69 5.99 -52.82 0 5 -1 78 308.379 3 ↓

Analogs

44618128
44618128
44618131
44618131

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Popular Name: (2S)-1-indan-5-ylsulfonylpiperidine-2-carboxylic (2S)-1-indan-5-ylsulfonylpiperid…

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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) 0.35 6.74 -59.67 0 5 -1 78 308.379 3 ↓

Analogs

44618128
44618128
44618131
44618131

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-indan-5-ylsulfonylpiperidine-2-carboxylic (2R)-1-indan-5-ylsulfonylpiperid…

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) 0.35 6.75 -59.67 0 5 -1 78 308.379 3 ↓

Analogs

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Popular Name: (3R)-N-ethyl-1-indan-5-ylsulfonyl-piperidine-3-carboxamide (3R)-N-ethyl-1-indan-5-ylsulfony…

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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) 1.92 5.35 -14.42 1 5 0 66 336.457 4 ↓

Analogs

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Popular Name: (3S)-N-ethyl-1-indan-5-ylsulfonyl-piperidine-3-carboxamide (3S)-N-ethyl-1-indan-5-ylsulfony…

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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) 1.92 5.38 -13.36 1 5 0 66 336.457 4 ↓

Analogs

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Popular Name: N-[2-(ethylamino)-2-oxo-ethyl]-1-indan-5-ylsulfonyl-piperidine-4-carboxamide N-[2-(ethylamino)-2-oxo-ethyl]-1…

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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) 1.53 3.9 -16.61 2 7 0 96 393.509 6 ↓

Analogs

7376315
7376315

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Popular Name: 2-(1-indan-5-ylsulfonyl-4-piperidyl)ethanamine 2-(1-indan-5-ylsulfonyl-4-piperi…

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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) 1.70 5.01 -51.63 3 4 1 65 309.455 4 ↓

Parameters Provided:

ring.id = 110885
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 = 110885 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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