UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4R)-1-oxaspiro[5.7]tridecan-4-ol (4R)-1-oxaspiro[5.7]tridecan-4-ol

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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) 3.04 3.51 -2.65 1 2 0 29 198.306 0 ↓

Analogs

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Popular Name: (4S)-1-oxaspiro[5.7]tridecan-4-ol (4S)-1-oxaspiro[5.7]tridecan-4-ol

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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) 3.04 3.77 -2.81 1 2 0 29 198.306 0 ↓

Analogs

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Popular Name: (4R)-1-oxaspiro[5.7]tridecan-4-amine (4R)-1-oxaspiro[5.7]tridecan-4-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) 2.55 4.25 -44.46 3 2 1 37 198.33 0 ↓

Analogs

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Popular Name: (4S)-1-oxaspiro[5.7]tridecan-4-amine (4S)-1-oxaspiro[5.7]tridecan-4-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) 2.55 4.32 -43.9 3 2 1 37 198.33 0 ↓

Analogs

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Popular Name: (4R)-N-methyl-1-oxaspiro[5.7]tridecan-4-amine (4R)-N-methyl-1-oxaspiro[5.7]tri…

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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) 3.46 6.08 -38.89 2 2 1 26 212.357 1 ↓

Analogs

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Popular Name: (4S)-N-methyl-1-oxaspiro[5.7]tridecan-4-amine (4S)-N-methyl-1-oxaspiro[5.7]tri…

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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) 3.46 6.16 -39.16 2 2 1 26 212.357 1 ↓

Analogs

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Popular Name: (4R)-N-ethyl-1-oxaspiro[5.7]tridecan-4-amine (4R)-N-ethyl-1-oxaspiro[5.7]trid…

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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) 3.83 6.96 -38.01 2 2 1 26 226.384 2 ↓

Analogs

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Popular Name: (4S)-N-ethyl-1-oxaspiro[5.7]tridecan-4-amine (4S)-N-ethyl-1-oxaspiro[5.7]trid…

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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) 3.83 6.99 -38.01 2 2 1 26 226.384 2 ↓

Analogs

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Popular Name: (4R)-4-chloro-1-oxaspiro[5.7]tridecane (4R)-4-chloro-1-oxaspiro[5.7]tri…

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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) 4.28 7.57 -1.32 0 1 0 9 216.752 0 ↓

Analogs

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Popular Name: (4S)-4-chloro-1-oxaspiro[5.7]tridecane (4S)-4-chloro-1-oxaspiro[5.7]tri…

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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) 4.28 7.32 -1.91 0 1 0 9 216.752 0 ↓

Parameters Provided:

ring.id = 480662
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 = 480662 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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