UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(5-methylisoxazol-4-yl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(5-meth…

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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) 1.57 1.4 -6.92 0 5 0 65 272.102 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-(5-methylisoxazol-4-yl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(5-meth…

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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) 1.57 1.41 -6.9 0 5 0 65 272.102 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(5-methylisoxazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(5-methylisoxazol-4-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) -1.64 -1.83 -47.82 3 6 1 93 209.229 3 ↓
Hi High (pH 8-9.5) -1.64 -2.19 -7.22 2 6 0 91 208.221 3 ↓

Analogs

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Popular Name: (1R)-1-[5-(5-methylisoxazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(5-methylisoxazol-4-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) -1.64 -1.85 -47.86 3 6 1 93 209.229 3 ↓
Hi High (pH 8-9.5) -1.64 -2.17 -6.21 2 6 0 91 208.221 3 ↓

Analogs

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Popular Name: 3-[5-(5-methylisoxazol-4-yl)-1,3,4-oxadiazol-2-yl]propanoic 3-[5-(5-methylisoxazol-4-yl)-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) -0.31 0.59 -42.42 0 7 -1 105 222.18 4 ↓

Analogs

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Popular Name: 4-[5-(5-methylisoxazol-4-yl)-1,3,4-oxadiazol-2-yl]butanoic 4-[5-(5-methylisoxazol-4-yl)-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) -0.04 1.38 -48.08 0 7 -1 105 236.207 5 ↓

Analogs

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Popular Name: 5-[5-(5-methylisoxazol-4-yl)-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-(5-methylisoxazol-4-yl)-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) 0.47 2.16 -46.85 0 7 -1 105 250.234 6 ↓

Parameters Provided:

ring.id = 220209
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 = 220209 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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