UCSF
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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) -0.25 -0.25 -23.64 1 8 0 98 282.3 6 ↓
Mid Mid (pH 6-8) -0.43 -1.8 -55.08 0 8 -1 104 281.292 6 ↓
Mid Mid (pH 6-8) -0.25 1.55 -50.59 2 8 1 99 283.308 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) -0.25 -0.22 -23.94 1 8 0 98 282.3 6 ↓
Mid Mid (pH 6-8) -0.43 -1.66 -55.2 0 8 -1 104 281.292 6 ↓
Mid Mid (pH 6-8) -0.25 1.55 -51.81 2 8 1 99 283.308 6 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxo-ethyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[2-[(5-methyl-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) -0.88 1 -63.69 2 8 0 113 268.273 4 ↓
Hi High (pH 8-9.5) -0.88 -1.38 -62.37 1 8 -1 111 267.265 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxo-ethyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[2-[(5-methyl-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) -0.88 1.01 -57.47 2 8 0 113 268.273 4 ↓
Hi High (pH 8-9.5) -0.88 -1.41 -53.99 1 8 -1 111 267.265 4 ↓

Analogs

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Popular Name: (3R)-1-[2-[(5-isopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-[(5-isopropyl-1,3,4-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) 0.17 2.37 -56.95 2 8 0 113 296.327 5 ↓
Hi High (pH 8-9.5) 0.17 -0.04 -53.25 1 8 -1 111 295.319 5 ↓

Analogs

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Popular Name: (3S)-1-[2-[(5-isopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-[(5-isopropyl-1,3,4-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) 0.17 2.38 -56.46 2 8 0 113 296.327 5 ↓
Hi High (pH 8-9.5) 0.17 -0.05 -53.07 1 8 -1 111 295.319 5 ↓

Analogs

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

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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) -0.55 1.52 -61.82 2 8 0 113 282.3 5 ↓
Hi High (pH 8-9.5) -0.55 -0.96 -64.12 1 8 -1 111 281.292 5 ↓

Analogs

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

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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) -0.55 1.47 -56.36 2 8 0 113 282.3 5 ↓
Hi High (pH 8-9.5) -0.55 -1 -52.87 1 8 -1 111 281.292 5 ↓

Analogs

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Popular Name: (3S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxo-ethyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[2-[(5-methyl-1,3,4-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) 0.01 2.29 -61.83 2 8 0 113 296.327 6 ↓
Hi High (pH 8-9.5) 0.01 -0.19 -64.47 1 8 -1 111 295.319 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxo-ethyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[2-[(5-methyl-1,3,4-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) 0.01 2.23 -56.25 2 8 0 113 296.327 6 ↓
Hi High (pH 8-9.5) 0.01 -0.25 -53.22 1 8 -1 111 295.319 6 ↓

Parameters Provided:

ring.id = 9634
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 = 9634 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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