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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

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) 0.04 6.65 -35.1 1 6 1 68 269.321 6 ↓
Mid Mid (pH 6-8) 0.04 4.8 -13.99 0 6 0 67 268.313 6 ↓

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) 0.04 6.33 -38.32 1 6 1 68 269.321 6 ↓
Mid Mid (pH 6-8) 0.04 4.09 -13.12 0 6 0 67 268.313 6 ↓

Analogs

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Popular Name: (3S)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-(2,5-dioxopyrrolidin-1…

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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) -0.59 6.09 -52.8 1 6 0 82 254.286 4 ↓
Hi High (pH 8-9.5) -0.59 3.55 -54.15 0 6 -1 81 253.278 4 ↓

Analogs

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Popular Name: (3R)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-(2,5-dioxopyrrolidin-1…

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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) -0.59 6.05 -49.67 1 6 0 82 254.286 4 ↓
Hi High (pH 8-9.5) -0.59 3.58 -55.21 0 6 -1 81 253.278 4 ↓

Analogs

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Popular Name: (3S)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[2-(2,5-dioxopyrrolidin-1…

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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) -0.26 6.6 -45.73 1 6 0 82 268.313 5 ↓
Hi High (pH 8-9.5) -0.26 4.05 -55.78 0 6 -1 81 267.305 5 ↓

Analogs

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Popular Name: (3R)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[2-(2,5-dioxopyrrolidin-1…

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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) -0.26 6.55 -51.15 1 6 0 82 268.313 5 ↓
Hi High (pH 8-9.5) -0.26 4.01 -53 0 6 -1 81 267.305 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[2-(2,5-dioxopyrrolidin-1…

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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) 0.30 7.36 -45.66 1 6 0 82 282.34 6 ↓
Hi High (pH 8-9.5) 0.30 4.83 -56.21 0 6 -1 81 281.332 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[2-(2,5-dioxopyrrolidin-1…

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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) 0.30 7.3 -48.45 1 6 0 82 282.34 6 ↓
Hi High (pH 8-9.5) 0.30 4.83 -54.78 0 6 -1 81 281.332 6 ↓

Parameters Provided:

ring.id = 9555
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 = 9555 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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