UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34571631
34571631
4833200
4833200
4833201
4833201

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Popular Name: ethyl ethyl

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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) 2.14 4.49 -7.48 0 4 0 48 228.288 4 ↓

Analogs

34571631
34571631
4833200
4833200
4833201
4833201

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Popular Name: ethyl ethyl

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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) 2.14 4.59 -8.09 0 4 0 48 228.288 4 ↓

Analogs

4023292
4023292
4023293
4023293
4023294
4023294
12652925
12652925
12652929
12652929

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Popular Name: (1R,3S,5S)-1,5-dimethyl-2,6-dioxaspiro[2.5]octane-1-carboxylic-acid-ethyl-ester (1R,3S,5S)-1,5-dimethyl-2,6-diox…

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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) 1.64 3.54 -5.88 0 4 0 48 214.261 3 ↓

Analogs

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Popular Name: (3S,5R)-5-ethyl-1,6-dioxaspiro[2.5]octane (3S,5R)-5-ethyl-1,6-dioxaspiro[2…

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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) 1.47 2.33 -4.2 0 2 0 22 142.198 1 ↓

Analogs

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Popular Name: (3S,5S)-5-ethyl-1,6-dioxaspiro[2.5]octane (3S,5S)-5-ethyl-1,6-dioxaspiro[2…

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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) 1.47 2.33 -4.43 0 2 0 22 142.198 1 ↓

Analogs

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Popular Name: (3R,5R)-5-ethyl-1,6-dioxaspiro[2.5]octane (3R,5R)-5-ethyl-1,6-dioxaspiro[2…

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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) 1.47 2.33 -4.43 0 2 0 22 142.198 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-5-ethyl-1,6-dioxaspiro[2.5]octane (3R,5S)-5-ethyl-1,6-dioxaspiro[2…

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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) 1.47 2.33 -4.2 0 2 0 22 142.198 1 ↓

Analogs

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Popular Name: (3S,5S)-5-isopropyl-1,6-dioxaspiro[2.5]octane (3S,5S)-5-isopropyl-1,6-dioxaspi…

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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) 1.71 2.86 -4.09 0 2 0 22 156.225 1 ↓

Analogs

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Popular Name: (3S,5R)-5-isopropyl-1,6-dioxaspiro[2.5]octane (3S,5R)-5-isopropyl-1,6-dioxaspi…

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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) 1.71 2.93 -4.2 0 2 0 22 156.225 1 ↓

Analogs

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Popular Name: (3R,5S)-5-isopropyl-1,6-dioxaspiro[2.5]octane (3R,5S)-5-isopropyl-1,6-dioxaspi…

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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) 1.71 2.86 -4.27 0 2 0 22 156.225 1 ↓

Analogs

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Popular Name: (3R,5R)-5-isopropyl-1,6-dioxaspiro[2.5]octane (3R,5R)-5-isopropyl-1,6-dioxaspi…

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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) 1.71 2.93 -3.97 0 2 0 22 156.225 1 ↓

Analogs

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Popular Name: (3S,5R)-5-ethyl-5-methyl-1,6-dioxaspiro[2.5]octane (3S,5R)-5-ethyl-5-methyl-1,6-dio…

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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) 1.92 2.66 -3.69 0 2 0 22 156.225 1 ↓

Analogs

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Popular Name: (3S,5S)-5-ethyl-5-methyl-1,6-dioxaspiro[2.5]octane (3S,5S)-5-ethyl-5-methyl-1,6-dio…

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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) 1.92 2.6 -4.41 0 2 0 22 156.225 1 ↓

Analogs

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Popular Name: (3R,5R)-5-ethyl-5-methyl-1,6-dioxaspiro[2.5]octane (3R,5R)-5-ethyl-5-methyl-1,6-dio…

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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) 1.92 2.57 -4.44 0 2 0 22 156.225 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-5-ethyl-5-methyl-1,6-dioxaspiro[2.5]octane (3R,5S)-5-ethyl-5-methyl-1,6-dio…

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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) 1.92 2.69 -3.69 0 2 0 22 156.225 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R)-5-methyl-1,6-dioxaspiro[2.5]octane (3S,5R)-5-methyl-1,6-dioxaspiro[…

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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) 0.97 1.51 -4.3 0 2 0 22 128.171 0 ↓

Analogs

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Popular Name: (3S,5S)-5-methyl-1,6-dioxaspiro[2.5]octane (3S,5S)-5-methyl-1,6-dioxaspiro[…

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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) 0.97 1.51 -4.65 0 2 0 22 128.171 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-5-methyl-1,6-dioxaspiro[2.5]octane (3R,5R)-5-methyl-1,6-dioxaspiro[…

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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) 0.97 1.51 -4.65 0 2 0 22 128.171 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-5-methyl-1,6-dioxaspiro[2.5]octane (3R,5S)-5-methyl-1,6-dioxaspiro[…

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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) 0.97 1.51 -4.31 0 2 0 22 128.171 0 ↓

Parameters Provided:

ring.id = 146126
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 = 146126 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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