UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one 1-[(3S)-3-hydroxypyrrolidin-1-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) -0.69 -0.45 -12.26 1 6 0 79 225.248 3 ↓

Analogs

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Popular Name: 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one 1-[(3R)-3-hydroxypyrrolidin-1-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) -0.69 -0.45 -12.95 1 6 0 79 225.248 3 ↓

Analogs

44614404
44614404
44614406
44614406

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

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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) -2.00 3.78 -58.92 0 7 -1 99 252.25 4 ↓

Analogs

44614404
44614404
44614406
44614406

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

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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) -2.00 3.88 -58.57 0 7 -1 99 252.25 4 ↓

Analogs

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

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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) 0.89 5.26 -51.82 0 7 -1 99 294.331 6 ↓

Analogs

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

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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) 0.89 5.32 -54.25 0 7 -1 99 294.331 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.19 3.87 -52.53 0 7 -1 99 266.277 4 ↓

Analogs

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

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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) -0.19 3.94 -54.96 0 7 -1 99 266.277 4 ↓

Analogs

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

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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) 0.15 4.52 -47.94 0 7 -1 99 280.304 5 ↓

Analogs

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

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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) 0.15 4.43 -54.43 0 7 -1 99 280.304 5 ↓

Analogs

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

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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) 0.70 5.28 -48.27 0 7 -1 99 294.331 6 ↓

Analogs

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

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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) 0.70 5.18 -54.78 0 7 -1 99 294.331 6 ↓

Analogs

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Popular Name: 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-yl-propan-1-one 3-(3-propyl-1,2,4-oxadiazol-5-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) 1.30 4.33 -9.2 0 5 0 59 237.303 5 ↓

Analogs

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Popular Name: 2-[(2R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[3-(3-methyl-1,2,4-oxa…

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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) -0.28 4.22 -54.56 0 7 -1 99 266.277 5 ↓

Analogs

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Popular Name: 2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[3-(3-methyl-1,2,4-oxa…

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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) -0.28 4.18 -54.51 0 7 -1 99 266.277 5 ↓

Analogs

42433261
42433261

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Popular Name: 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one 1-[(2R)-2-(hydroxymethyl)pyrroli…

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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) -0.42 0.43 -10.34 1 6 0 79 239.275 4 ↓

Analogs

42433260
42433260

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Popular Name: 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one 1-[(2S)-2-(hydroxymethyl)pyrroli…

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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) -0.42 0.43 -10.39 1 6 0 79 239.275 4 ↓

Parameters Provided:

ring.id = 8795
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 = 8795 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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