UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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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) 4.56 12.35 -14.53 0 6 0 65 421.493 7 ↓

Analogs

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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) 4.56 12.52 -13.67 0 6 0 65 421.493 7 ↓

Analogs

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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) 4.56 12.37 -12.96 0 6 0 65 421.493 7 ↓

Analogs

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Popular Name: (2R,7S)-5-methyl-1'-(3-methylbut-2-enyl)-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7,3'-indoline (2R,7S)-5-methyl-1'-(3-methylbut…

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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) 6.00 13.2 -10.35 0 4 0 39 403.522 5 ↓

Analogs

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Popular Name: (2S,7S)-5-methyl-1'-(3-methylbut-2-enyl)-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7,3'-indoline (2S,7S)-5-methyl-1'-(3-methylbut…

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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) 6.00 13.13 -8.13 0 4 0 39 403.522 5 ↓

Analogs

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Popular Name: (2R,7R)-5-methyl-1'-(3-methylbut-2-enyl)-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7,3'-indoline (2R,7R)-5-methyl-1'-(3-methylbut…

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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) 6.00 13 -8.83 0 4 0 39 403.522 5 ↓

Analogs

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Popular Name: (2R,7S)-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]-2'-one (2R,7S)-5-methyl-2-(phenoxymethy…

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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) 4.08 8.35 -9.98 1 4 0 48 335.403 3 ↓

Analogs

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Popular Name: (2S,7S)-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]-2'-one (2S,7S)-5-methyl-2-(phenoxymethy…

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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) 4.08 8.14 -8.75 1 4 0 48 335.403 3 ↓

Analogs

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Popular Name: (2R,7R)-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]-2'-one (2R,7R)-5-methyl-2-(phenoxymethy…

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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) 4.08 8.08 -8.71 1 4 0 48 335.403 3 ↓

Analogs

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Popular Name: (2R,7S)-4'-bromo-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]-2'-one (2R,7S)-4'-bromo-5-methyl-2-(phe…

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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) 4.84 8.89 -9.94 1 4 0 48 414.299 3 ↓

Analogs

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Popular Name: (2S,7S)-4'-bromo-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]-2'-one (2S,7S)-4'-bromo-5-methyl-2-(phe…

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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) 4.84 8.6 -9.15 1 4 0 48 414.299 3 ↓

Analogs

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Popular Name: (2R,7R)-4'-bromo-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]-2'-one (2R,7R)-4'-bromo-5-methyl-2-(phe…

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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) 4.84 8.57 -9.1 1 4 0 48 414.299 3 ↓

Analogs

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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) 5.32 12.85 -14.61 0 6 0 65 500.389 7 ↓

Analogs

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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) 5.32 13.05 -13.57 0 6 0 65 500.389 7 ↓

Analogs

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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) 5.32 12.88 -13.25 0 6 0 65 500.389 7 ↓

Parameters Provided:

ring.id = 471635
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 = 471635 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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