UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R,5S)-7-isopropyl-N-[(1S)-1-phenylethyl]-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-[(1S)-1-ph…

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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) 4.25 10.22 -0.79 2 2 0 16 287.471 4 ↓
Hi High (pH 8-9.5) 4.26 10.75 -34.03 2 2 1 20 287.471 4 ↓

Analogs

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Popular Name: (1R,5S)-N-benzyl-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-N-benzyl-7-isopropyl-7-a…

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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) 3.70 9.51 -1.03 2 2 0 16 273.444 4 ↓

Analogs

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Popular Name: (1R,5S)-N-[(4-fluorophenyl)methyl]-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-N-[(4-fluorophenyl)methy…

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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) 3.86 9.58 -79.46 2 2 0 16 291.434 4 ↓

Analogs

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Popular Name: (1R,5S)-N-[(2-fluorophenyl)methyl]-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-N-[(2-fluorophenyl)methy…

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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) 3.81 9.32 -65.97 2 2 0 16 291.434 4 ↓

Analogs

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Popular Name: (1R,5S)-7-isopropyl-N-(m-tolylmethyl)-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-(m-tolylme…

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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) 4.12 9.94 -1.3 2 2 0 16 287.471 4 ↓
Hi High (pH 8-9.5) 4.12 10.82 -38.27 2 2 1 20 287.471 4 ↓

Analogs

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Popular Name: (1R,5S)-N-[(3-fluorophenyl)methyl]-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-N-[(3-fluorophenyl)methy…

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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 9.36 -69.95 2 2 0 16 291.434 4 ↓

Parameters Provided:

ring.id = 517442
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 = 517442 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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