UCSF
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Analogs

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Popular Name: 2-(chloromethyl)-5-(2,3-dihydro-1,4-benzodioxin-8-yl)-1,3,4-oxadiazole 2-(chloromethyl)-5-(2,3-dihydro-…

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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 1.28 -11.8 0 5 0 57 252.657 2 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3,4-oxadiazole 2-[(1S)-1-chloroethyl]-5-(2,3-di…

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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) 1.98 1.99 -11.65 0 5 0 57 266.684 2 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3,4-oxadiazole 2-[(1R)-1-chloroethyl]-5-(2,3-di…

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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) 1.98 1.98 -11.63 0 5 0 57 266.684 2 ↓

Analogs

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Popular Name: 2-(2-chloroethyl)-5-(2,3-dihydro-1,4-benzodioxin-8-yl)-1,3,4-oxadiazole 2-(2-chloroethyl)-5-(2,3-dihydro…

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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) 1.83 2.08 -10.78 0 5 0 57 266.684 3 ↓

Analogs

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Popular Name: 2-(3-chloropropyl)-5-(2,3-dihydro-1,4-benzodioxin-8-yl)-1,3,4-oxadiazole 2-(3-chloropropyl)-5-(2,3-dihydr…

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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 2.85 -13.3 0 5 0 57 280.711 4 ↓

Analogs

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Popular Name: 5-(2,3-dihydro-1,4-benzodioxin-8-yl)-1,3,4-oxadiazol-2-amine 5-(2,3-dihydro-1,4-benzodioxin-8…

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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) 1.10 -1.91 -12.36 2 6 0 83 219.2 1 ↓

Analogs

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Popular Name: 5-(2,3-dihydro-1,4-benzodioxin-8-yl)-1,3,4-oxadiazole-2-thiol 5-(2,3-dihydro-1,4-benzodioxin-8…

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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) 2.01 0.49 -46.13 0 5 -1 57 235.244 1 ↓
Lo Low (pH 4.5-6) 1.28 1.06 -9.96 1 5 0 60 236.252 1 ↓

Analogs

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Popular Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-8-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic 2-[[5-(2,3-dihydro-1,4-benzodiox…

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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) 1.46 1.88 -46.56 0 7 -1 98 293.28 4 ↓

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(2,3-di…

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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) 2.61 2.81 -10.69 0 5 0 57 325.162 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(2,3-di…

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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) 2.61 2.8 -10.71 0 5 0 57 325.162 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(2,3-dihydro-1,4-benzo…

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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) -0.59 -0.43 -47.78 3 6 1 85 262.289 3 ↓
Hi High (pH 8-9.5) -0.59 -0.77 -10.11 2 6 0 83 261.281 3 ↓

Analogs

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Popular Name: (1R)-1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(2,3-dihydro-1,4-benzo…

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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) -0.59 -0.44 -47.84 3 6 1 85 262.289 3 ↓
Hi High (pH 8-9.5) -0.59 -0.81 -11.37 2 6 0 83 261.281 3 ↓

Analogs

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Popular Name: 3-[5-(2,3-dihydro-1,4-benzodioxin-8-yl)-1,3,4-oxadiazol-2-yl]propanoic 3-[5-(2,3-dihydro-1,4-benzodioxi…

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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) 0.74 2.15 -48.51 0 7 -1 98 275.24 4 ↓

Analogs

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Popular Name: 4-[5-(2,3-dihydro-1,4-benzodioxin-8-yl)-1,3,4-oxadiazol-2-yl]butanoic 4-[5-(2,3-dihydro-1,4-benzodioxi…

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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) 1.01 2.93 -54.09 0 7 -1 98 289.267 5 ↓

Parameters Provided:

ring.id = 88427
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 = 88427 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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