UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]cycloheptanamine 1-[5-(2-propoxyethyl)-1,2,4-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) 2.94 3.25 -36.21 3 5 1 76 268.381 6 ↓

Analogs

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Popular Name: 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-pentyl-propanamide 3-[3-(1-acetamidocycloheptyl)-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) 3.13 6.37 -14.01 2 7 0 97 364.49 9 ↓

Analogs

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Popular Name: 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-methylbutyl]propanamide 3-[3-(1-acetamidocycloheptyl)-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) 2.96 6.6 -13.78 2 7 0 97 364.49 8 ↓

Analogs

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Popular Name: 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-methylbutyl]propanamide 3-[3-(1-acetamidocycloheptyl)-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) 2.96 6.6 -13.77 2 7 0 97 364.49 8 ↓

Analogs

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Popular Name: 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-isopentyl-propanamide 3-[3-(1-acetamidocycloheptyl)-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) 2.84 6.1 -13.87 2 7 0 97 364.49 8 ↓

Analogs

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Popular Name: 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-methoxy-propanamide 3-[3-(1-acetamidocycloheptyl)-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) 1.15 4.23 -17.34 2 8 0 106 324.381 6 ↓

Analogs

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Popular Name: 1-[5-(methylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptanamine 1-[5-(methylsulfanylmethyl)-1,2,…

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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) 2.39 2.95 -37.63 3 4 1 67 242.368 3 ↓

Analogs

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Popular Name: N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-methylsulfanyl-acetamide N-[1-(5-methyl-1,2,4-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) 2.10 5.4 -11.96 1 5 0 68 283.397 4 ↓

Analogs

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Popular Name: 3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide 3-methyl-N-[1-(5-methyl-1,2,4-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) 3.23 6.3 -9.62 1 5 0 68 279.384 4 ↓

Analogs

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Popular Name: N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]pentanamide N-[1-(5-methyl-1,2,4-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) 3.52 6.52 -10.32 1 5 0 68 279.384 5 ↓

Analogs

46405881
46405881
46405882
46405882

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Popular Name: 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide 2-methyl-N-[1-(5-methyl-1,2,4-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) 2.70 5.44 -10.13 1 5 0 68 265.357 3 ↓

Analogs

26491581
26491581

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Popular Name: tert-butyl tert-butyl

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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) 2.94 5.49 -13.81 2 8 0 106 380.489 8 ↓

Analogs

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Popular Name: 3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]but-2-enamide 3-methyl-N-[1-(5-methyl-1,2,4-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) 3.25 6.07 -9.23 1 5 0 68 277.368 3 ↓

Analogs

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Popular Name: 2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide 2-methoxy-N-[1-(5-methyl-1,2,4-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) 1.56 4.15 -13.16 1 6 0 77 267.329 4 ↓

Parameters Provided:

ring.id = 125801
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 = 125801 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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