UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]triazole-4-carboxylic 1-[(4-methyl-1,2,5-oxadiazol-3-y…

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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) 0.18 1.84 -54.26 0 8 -1 110 208.157 3 ↓

Analogs

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Popular Name: 5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]triazole-4-carboxylic 5-methyl-1-[(4-methyl-1,2,5-oxad…

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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) 0.40 2.29 -54.16 0 8 -1 110 222.184 3 ↓

Analogs

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Popular Name: [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]triazol-4-yl]methanamine [1-[(4-methyl-1,2,5-oxadiazol-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) -0.21 -0.6 -57.59 3 7 1 97 195.206 3 ↓
Hi High (pH 8-9.5) -0.21 -1 -14.25 2 7 0 96 194.198 3 ↓

Analogs

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Popular Name: 2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(4-methyl-1,2,5-oxadiazol-…

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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 0.58 -57.72 3 7 1 97 223.26 3 ↓
Hi High (pH 8-9.5) 0.80 0.32 -13.33 2 7 0 96 222.252 3 ↓

Analogs

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Popular Name: [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]triazol-4-yl]methanol [1-[(4-methyl-1,2,5-oxadiazol-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) -0.06 -1.27 -14.83 1 7 0 90 195.182 3 ↓

Analogs

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Popular Name: 2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol 2-[1-[(4-methyl-1,2,5-oxadiazol-…

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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 -0.56 -16.34 1 7 0 90 209.209 4 ↓

Analogs

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Popular Name: 3-[[4-(chloromethyl)triazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole 3-[[4-(chloromethyl)triazol-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) 1.18 2.61 -15.47 0 6 0 70 213.628 3 ↓

Analogs

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Popular Name: 3-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole 3-[[4-(2-chloroethyl)triazol-1-y…

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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) 1.39 3.4 -15.16 0 6 0 70 227.655 4 ↓

Analogs

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Popular Name: 3-[[4-(bromomethyl)triazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole 3-[[4-(bromomethyl)triazol-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) 1.31 2.72 -15.13 0 6 0 70 258.079 3 ↓

Analogs

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Popular Name: 3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole 3-[[4-(2-bromoethyl)triazol-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) 1.52 3.5 -15.03 0 6 0 70 272.106 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 460561 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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