UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine N-[(3-benzhydryl-1,2,4-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) 3.66 10.32 -39.72 1 5 1 53 366.485 9 ↓

Analogs

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Popular Name: 3-benzhydryl-5-(2-chloroethyl)-1,2,4-oxadiazole 3-benzhydryl-5-(2-chloroethyl)-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) 3.98 8.95 -7.62 0 3 0 39 298.773 5 ↓

Analogs

53133045
53133045
53133049
53133049

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Popular Name: 3-benzhydryl-5-[(1S)-1-chloroethyl]-1,2,4-oxadiazole 3-benzhydryl-5-[(1S)-1-chloroeth…

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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) 4.13 8.86 -8.01 0 3 0 39 298.773 4 ↓

Analogs

53133045
53133045
53133049
53133049

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Popular Name: 3-benzhydryl-5-[(1R)-1-chloroethyl]-1,2,4-oxadiazole 3-benzhydryl-5-[(1R)-1-chloroeth…

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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) 4.13 8.86 -8.01 0 3 0 39 298.773 4 ↓

Analogs

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Popular Name: 1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)-N-methyl-methanamine 1-(3-benzhydryl-1,2,4-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) 2.75 6.83 -46.15 2 4 1 56 280.351 5 ↓
Hi High (pH 8-9.5) 2.75 5.38 -8.06 1 4 0 51 279.343 5 ↓

Analogs

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Popular Name: (3-benzhydryl-1,2,4-oxadiazol-5-yl)methanamine (3-benzhydryl-1,2,4-oxadiazol-5-…

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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) 2.38 4.94 -52.26 3 4 1 67 266.324 4 ↓
Hi High (pH 8-9.5) 2.38 4.54 -8.84 2 4 0 65 265.316 4 ↓

Analogs

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Popular Name: 2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanamine 2-(3-benzhydryl-1,2,4-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) 2.18 5.7 -53.77 3 4 1 67 280.351 5 ↓

Analogs

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Popular Name: (1S)-1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanamine (1S)-1-(3-benzhydryl-1,2,4-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) 1.06 5.6 -49.39 3 4 1 67 280.351 4 ↓
Hi High (pH 8-9.5) 1.06 5.25 -8.67 2 4 0 65 279.343 4 ↓

Analogs

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Popular Name: (1R)-1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanamine (1R)-1-(3-benzhydryl-1,2,4-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) 1.06 5.59 -49.36 3 4 1 67 280.351 4 ↓
Hi High (pH 8-9.5) 1.06 5.26 -8.5 2 4 0 65 279.343 4 ↓

Analogs

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Popular Name: N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2-methyl-prop-2-en-1-amine N-[(3-benzhydryl-1,2,4-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) 4.57 2.05 -39.13 1 4 1 43 348.47 8 ↓

Parameters Provided:

ring.id = 79060
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 = 79060 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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