UCSF
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Analogs

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Popular Name: 1-[(2R)-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2R)-4-[(5-ethyl-1,3,4-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) -0.78 -0.28 -40.23 1 6 1 56 255.342 5 ↓
Hi High (pH 8-9.5) -0.78 -2.87 -8.54 0 6 0 55 254.334 5 ↓

Analogs

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Popular Name: 1-[(2S)-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2S)-4-[(5-ethyl-1,3,4-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) -0.78 -0.43 -39.74 1 6 1 56 255.342 5 ↓
Hi High (pH 8-9.5) -0.78 -2.92 -8.83 0 6 0 55 254.334 5 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[(2R)-4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholin-2-yl]methanamine N,N-dimethyl-1-[(2R)-4-[(1R)-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) -0.80 -0.24 -39.59 1 6 1 56 255.342 4 ↓
Hi High (pH 8-9.5) -0.80 -2.65 -8.75 0 6 0 55 254.334 4 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[(2R)-4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholin-2-yl]methanamine N,N-dimethyl-1-[(2R)-4-[(1S)-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) -0.80 -0.72 -40.37 1 6 1 56 255.342 4 ↓
Hi High (pH 8-9.5) -0.80 -3.14 -9.27 0 6 0 55 254.334 4 ↓

Analogs

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Popular Name: 1-[(2R)-4-[(5-isopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2R)-4-[(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) -0.30 0.32 -39.82 1 6 1 56 269.369 5 ↓
Hi High (pH 8-9.5) -0.30 -2.26 -8.31 0 6 0 55 268.361 5 ↓

Analogs

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Popular Name: 1-[(2S)-4-[(5-isopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2S)-4-[(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) -0.30 0.16 -39.39 1 6 1 56 269.369 5 ↓
Hi High (pH 8-9.5) -0.30 -2.31 -8.56 0 6 0 55 268.361 5 ↓

Analogs

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Popular Name: 1-[(2R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2R)-4-[(5-tert-butyl-1,3,4-o…

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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) 0.37 0.84 -39.88 1 6 1 56 283.396 5 ↓
Hi High (pH 8-9.5) 0.37 -1.58 -8.27 0 6 0 55 282.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2S)-4-[(5-tert-butyl-1,3,4-o…

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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) 0.37 0.7 -39.29 1 6 1 56 283.396 5 ↓
Hi High (pH 8-9.5) 0.37 -1.81 -8.42 0 6 0 55 282.388 5 ↓

Parameters Provided:

ring.id = 430915
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 = 430915 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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