UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (8R)-N-(4-methyl-3-nitro-phenyl)-5-azaspiro[3.5]nonan-8-amine (8R)-N-(4-methyl-3-nitro-phenyl)…

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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 7.31 -48.65 3 5 1 74 276.36 3 ↓

Analogs

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Popular Name: (8S)-N-(4-methyl-3-nitro-phenyl)-5-azaspiro[3.5]nonan-8-amine (8S)-N-(4-methyl-3-nitro-phenyl)…

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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 7.31 -48.58 3 5 1 74 276.36 3 ↓

Analogs

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Popular Name: 2-[[(8R)-5-azaspiro[3.5]nonan-8-yl]amino]-5-chloro-benzonitrile 2-[[(8R)-5-azaspiro[3.5]nonan-8-…

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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) 3.73 6.94 -44.79 3 3 1 52 276.791 2 ↓

Analogs

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Popular Name: 2-[[(8S)-5-azaspiro[3.5]nonan-8-yl]amino]-5-chloro-benzonitrile 2-[[(8S)-5-azaspiro[3.5]nonan-8-…

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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) 3.73 6.94 -44.81 3 3 1 52 276.791 2 ↓

Analogs

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Popular Name: 2-[[(8R)-5-azaspiro[3.5]nonan-8-yl]amino]-5-chloro-benzamide 2-[[(8R)-5-azaspiro[3.5]nonan-8-…

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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) 2.79 3.67 -41.46 5 4 1 72 294.806 3 ↓

Analogs

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Popular Name: 2-[[(8S)-5-azaspiro[3.5]nonan-8-yl]amino]-5-chloro-benzamide 2-[[(8S)-5-azaspiro[3.5]nonan-8-…

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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) 2.79 3.6 -41.65 5 4 1 72 294.806 3 ↓

Analogs

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Popular Name: 2-[[(8R)-5-azaspiro[3.5]nonan-8-yl]amino]-6-chloro-benzonitrile 2-[[(8R)-5-azaspiro[3.5]nonan-8-…

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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 6.78 -46.77 3 3 1 52 276.791 2 ↓

Analogs

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Popular Name: 2-[[(8S)-5-azaspiro[3.5]nonan-8-yl]amino]-6-chloro-benzonitrile 2-[[(8S)-5-azaspiro[3.5]nonan-8-…

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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 6.85 -46.46 3 3 1 52 276.791 2 ↓

Analogs

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Popular Name: 2-[[(8R)-5-azaspiro[3.5]nonan-8-yl]amino]-6-chloro-benzamide 2-[[(8R)-5-azaspiro[3.5]nonan-8-…

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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) 2.77 3.07 -48.13 5 4 1 72 294.806 3 ↓

Analogs

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Popular Name: 2-[[(8S)-5-azaspiro[3.5]nonan-8-yl]amino]-6-chloro-benzamide 2-[[(8S)-5-azaspiro[3.5]nonan-8-…

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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) 2.77 3.07 -46.66 5 4 1 72 294.806 3 ↓

Analogs

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Popular Name: 2-[[(8R)-5-azaspiro[3.5]nonan-8-yl]amino]-4-chloro-benzonitrile 2-[[(8R)-5-azaspiro[3.5]nonan-8-…

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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) 3.73 6.88 -42.04 3 3 1 52 276.791 2 ↓

Analogs

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Popular Name: 2-[[(8S)-5-azaspiro[3.5]nonan-8-yl]amino]-4-chloro-benzonitrile 2-[[(8S)-5-azaspiro[3.5]nonan-8-…

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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) 3.73 6.94 -41.67 3 3 1 52 276.791 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(8R)-5-azaspiro[3.5]nonan-8-yl]amino]-4-chloro-benzamide 2-[[(8R)-5-azaspiro[3.5]nonan-8-…

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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) 2.79 3.66 -39.6 5 4 1 72 294.806 3 ↓

Analogs

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Popular Name: 2-[[(8S)-5-azaspiro[3.5]nonan-8-yl]amino]-4-chloro-benzamide 2-[[(8S)-5-azaspiro[3.5]nonan-8-…

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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) 2.79 3.74 -39.49 5 4 1 72 294.806 3 ↓

Analogs

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Popular Name: 4-[[(8R)-5-azaspiro[3.5]nonan-8-yl]amino]-3-chloro-benzonitrile 4-[[(8R)-5-azaspiro[3.5]nonan-8-…

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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) 3.73 7.02 -46.27 3 3 1 52 276.791 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8S)-5-azaspiro[3.5]nonan-8-yl]amino]-3-chloro-benzonitrile 4-[[(8S)-5-azaspiro[3.5]nonan-8-…

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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) 3.73 6.95 -46.54 3 3 1 52 276.791 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8R)-5-azaspiro[3.5]nonan-8-yl]amino]-3-chloro-benzamide 4-[[(8R)-5-azaspiro[3.5]nonan-8-…

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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) 2.79 3.43 -45.49 5 4 1 72 294.806 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8S)-5-azaspiro[3.5]nonan-8-yl]amino]-3-chloro-benzamide 4-[[(8S)-5-azaspiro[3.5]nonan-8-…

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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) 2.79 3.36 -45.83 5 4 1 72 294.806 3 ↓

Parameters Provided:

ring.id = 6079
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 = 6079 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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