UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35633579
35633579

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Popular Name: (1S)-1-[3-(azocan-1-ylsulfonyl)phenyl]-N-methyl-ethanamine (1S)-1-[3-(azocan-1-ylsulfonyl)p…

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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) 3.26 6.67 -50.26 2 4 1 54 311.471 4 ↓
Hi High (pH 8-9.5) 3.26 5.5 -8.56 1 4 0 49 310.463 4 ↓

Analogs

35633578
35633578

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Popular Name: (1R)-1-[3-(azocan-1-ylsulfonyl)phenyl]-N-methyl-ethanamine (1R)-1-[3-(azocan-1-ylsulfonyl)p…

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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) 3.26 6.67 -48.53 2 4 1 54 311.471 4 ↓
Hi High (pH 8-9.5) 3.26 5.5 -9.57 1 4 0 49 310.463 4 ↓

Analogs

35633581
35633581

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Popular Name: (1S)-1-[4-(azocan-1-ylsulfonyl)phenyl]-N-methyl-ethanamine (1S)-1-[4-(azocan-1-ylsulfonyl)p…

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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 6.69 -50.53 2 4 1 54 311.471 4 ↓
Hi High (pH 8-9.5) 3.29 5.51 -8.57 1 4 0 49 310.463 4 ↓

Analogs

35633580
35633580

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Popular Name: (1R)-1-[4-(azocan-1-ylsulfonyl)phenyl]-N-methyl-ethanamine (1R)-1-[4-(azocan-1-ylsulfonyl)p…

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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 6.69 -49.13 2 4 1 54 311.471 4 ↓
Hi High (pH 8-9.5) 3.29 5.5 -9.38 1 4 0 49 310.463 4 ↓

Analogs

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Popular Name: (1S)-1-[4-(azocan-1-ylsulfonyl)phenyl]ethanol (1S)-1-[4-(azocan-1-ylsulfonyl)p…

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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) 2.73 4.41 -10.14 1 4 0 58 297.42 3 ↓

Analogs

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Popular Name: (1R)-1-[4-(azocan-1-ylsulfonyl)phenyl]ethanol (1R)-1-[4-(azocan-1-ylsulfonyl)p…

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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) 2.73 4.39 -10.68 1 4 0 58 297.42 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(azocan-1-ylsulfonyl)phenyl]ethanol (1S)-1-[3-(azocan-1-ylsulfonyl)p…

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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) 2.71 4.4 -10.35 1 4 0 58 297.42 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(azocan-1-ylsulfonyl)phenyl]ethanol (1R)-1-[3-(azocan-1-ylsulfonyl)p…

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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) 2.71 4.38 -11.14 1 4 0 58 297.42 3 ↓

Analogs

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Popular Name: 2-(azocan-1-ylsulfonyl)-6-fluoro-aniline 2-(azocan-1-ylsulfonyl)-6-fluoro…

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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) 2.72 4.59 -8.68 2 4 0 63 286.372 2 ↓

Analogs

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Popular Name: 4-(azocan-1-ylsulfonyl)phenol 4-(azocan-1-ylsulfonyl)phenol

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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) 2.69 3.29 -9.81 1 4 0 58 269.366 2 ↓
Hi High (pH 8-9.5) 2.69 4.05 -44.93 0 4 -1 60 268.358 2 ↓

Analogs

43563047
43563047

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Popular Name: 3-(azocan-1-ylsulfonyl)benzenesulfonamide 3-(azocan-1-ylsulfonyl)benzenesu…

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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) 1.84 1.11 -17.53 2 6 0 98 332.447 3 ↓

Analogs

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Popular Name: 4-(azocan-1-ylsulfonyl)-N-methyl-aniline 4-(azocan-1-ylsulfonyl)-N-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) 3.03 4.95 -10.01 1 4 0 49 282.409 3 ↓

Analogs

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Popular Name: 1-(2-bromo-4,6-difluoro-phenyl)sulfonylazocane 1-(2-bromo-4,6-difluoro-phenyl)s…

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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) 4.16 6.93 -7.48 0 3 0 37 368.243 2 ↓

Analogs

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Popular Name: 1-(4-bromo-2,6-dichloro-phenyl)sulfonylazocane 1-(4-bromo-2,6-dichloro-phenyl)s…

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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) 5.19 7.95 -6.45 0 3 0 37 401.153 2 ↓

Analogs

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Popular Name: 1-(3-bromo-4-methoxy-phenyl)sulfonylazocane 1-(3-bromo-4-methoxy-phenyl)sulf…

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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) 3.96 6.11 -9.9 0 4 0 47 362.289 3 ↓

Analogs

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Popular Name: 1-(4-bromo-3-methyl-phenyl)sulfonylazocane 1-(4-bromo-3-methyl-phenyl)sulfo…

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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) 4.36 7.33 -8.06 0 3 0 37 346.29 2 ↓

Parameters Provided:

ring.id = 20006
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 = 20006 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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