UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[(5-methyl-1,2,4-oxadiazo…

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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) -2.68 2.69 -48.36 0 7 -1 99 224.196 3 ↓

Analogs

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Popular Name: (2R)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[(5-methyl-1,2,4-oxadiazo…

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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) -2.68 2.23 -49.59 0 7 -1 99 224.196 3 ↓

Analogs

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Popular Name: (2S)-1-(1,2,4-oxadiazol-3-ylmethyl)-5-oxo-pyrrolidine-2-carboxylic (2S)-1-(1,2,4-oxadiazol-3-ylmeth…

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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) -2.90 1.94 -48.83 0 7 -1 99 210.169 3 ↓

Analogs

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Popular Name: (2R)-1-(1,2,4-oxadiazol-3-ylmethyl)-5-oxo-pyrrolidine-2-carboxylic (2R)-1-(1,2,4-oxadiazol-3-ylmeth…

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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) -2.90 1.48 -49.62 0 7 -1 99 210.169 3 ↓

Analogs

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Popular Name: (2S)-5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic (2S)-5-oxo-1-[(5-propyl-1,2,4-ox…

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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) -1.60 4.22 -47 0 7 -1 99 252.25 5 ↓

Analogs

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Popular Name: (2R)-5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic (2R)-5-oxo-1-[(5-propyl-1,2,4-ox…

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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) -1.60 3.76 -48.25 0 7 -1 99 252.25 5 ↓

Analogs

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Popular Name: (2S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[(5-ethyl-1,2,4-oxadiazol…

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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) -2.10 3.45 -47.61 0 7 -1 99 238.223 4 ↓

Analogs

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Popular Name: (2R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[(5-ethyl-1,2,4-oxadiazol…

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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) -2.10 2.99 -48.91 0 7 -1 99 238.223 4 ↓

Analogs

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Popular Name: (2S)-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[(5-isopropyl-1,2,4-oxadi…

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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) -1.62 4.05 -47.25 0 7 -1 99 252.25 4 ↓

Analogs

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Popular Name: (2R)-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[(5-isopropyl-1,2,4-oxadi…

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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) -1.62 3.59 -48.67 0 7 -1 99 252.25 4 ↓

Parameters Provided:

ring.id = 216839
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 = 216839 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=216839&filter.purchasability=annotated

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