UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic 2-[[(3R)-1,1-dioxothiolan-3-yl]-…

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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) -1.75 1.24 -44.11 1 8 0 118 303.34 6 ↓
Hi High (pH 8-9.5) -1.75 -0.43 -57.12 0 8 -1 116 302.332 6 ↓

Analogs

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Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic 2-[[(3S)-1,1-dioxothiolan-3-yl]-…

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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) -1.75 1.29 -45.27 1 8 0 118 303.34 6 ↓
Hi High (pH 8-9.5) -1.75 -0.87 -55.44 0 8 -1 116 302.332 6 ↓

Analogs

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Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic 2-[[(3R)-1,1-dioxothiolan-3-yl]-…

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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) -1.27 1.85 -43.43 1 8 0 118 317.367 6 ↓
Hi High (pH 8-9.5) -1.27 0.18 -57.26 0 8 -1 116 316.359 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic 2-[[(3S)-1,1-dioxothiolan-3-yl]-…

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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) -1.27 1.89 -44.67 1 8 0 118 317.367 6 ↓
Hi High (pH 8-9.5) -1.27 -0.26 -55.24 0 8 -1 116 316.359 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic 2-[[(3R)-1,1-dioxothiolan-3-yl]-…

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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) -1.25 2.01 -43.65 1 8 0 118 317.367 7 ↓
Hi High (pH 8-9.5) -1.25 0.35 -56.58 0 8 -1 116 316.359 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic 2-[[(3S)-1,1-dioxothiolan-3-yl]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.25 2.32 -38.69 1 8 0 118 317.367 7 ↓
Hi High (pH 8-9.5) -1.25 0.59 -53.53 0 8 -1 116 316.359 7 ↓

Parameters Provided:

ring.id = 552371
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 = 552371 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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