UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(azocan-1-yl)-1-phenyl-propan-1-one 3-(azocan-1-yl)-1-phenyl-propan-…

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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) 3.68 10.11 -38.58 1 2 1 22 246.374 4 ↓
Hi High (pH 8-9.5) 3.68 8.79 -5.52 0 2 0 20 245.366 4 ↓

Analogs

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Popular Name: 3-(azocan-1-yl)-1-(p-tolyl)propan-1-one 3-(azocan-1-yl)-1-(p-tolyl)propa…

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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) 4.13 10.79 -38.61 1 2 1 22 260.401 4 ↓
Hi High (pH 8-9.5) 4.13 9.47 -5.39 0 2 0 20 259.393 4 ↓

Analogs

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Popular Name: (2S)-3-(azocan-1-yl)-2-methyl-1-phenyl-propan-1-one (2S)-3-(azocan-1-yl)-2-methyl-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) 4.16 10.72 -34.69 1 2 1 22 260.401 4 ↓
Hi High (pH 8-9.5) 4.16 9.76 -5.26 0 2 0 20 259.393 4 ↓

Analogs

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Popular Name: (2R)-3-(azocan-1-yl)-2-methyl-1-phenyl-propan-1-one (2R)-3-(azocan-1-yl)-2-methyl-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) 4.16 10.71 -36.63 1 2 1 22 260.401 4 ↓
Hi High (pH 8-9.5) 4.16 9.65 -5.21 0 2 0 20 259.393 4 ↓

Analogs

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Popular Name: 3-(azocan-1-yl)-2,2-dimethyl-1-phenyl-propan-1-one 3-(azocan-1-yl)-2,2-dimethyl-1-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) 4.57 10.77 -35.59 1 2 1 22 274.428 4 ↓
Hi High (pH 8-9.5) 4.57 9.96 -6.39 0 2 0 20 273.42 4 ↓

Analogs

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Popular Name: 3-(azocan-1-yl)-1-(4-fluorophenyl)propan-1-one 3-(azocan-1-yl)-1-(4-fluoropheny…

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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) 3.84 10.18 -41.71 1 2 1 22 264.364 4 ↓

Parameters Provided:

ring.id = 117377
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 = 117377 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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