UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N,N-dimethyl-1-[3-(4-piperidyl)-1,2,4-oxadiazol-5-yl]methanamine N,N-dimethyl-1-[3-(4-piperidyl)-…

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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) -0.35 2.49 -90.33 3 5 2 60 212.297 3 ↓

Analogs

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Popular Name: N,N-dimethyl-2-[3-(4-piperidyl)-1,2,4-oxadiazol-5-yl]ethanamine N,N-dimethyl-2-[3-(4-piperidyl)-…

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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) 0.05 3.26 -90.86 3 5 2 60 226.324 4 ↓
Hi High (pH 8-9.5) 0.05 0.78 -43.97 2 5 1 59 225.316 4 ↓

Analogs

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Popular Name: N-isopropyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide N-isopropyl-4-(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) 1.30 2.96 -14.19 1 6 0 71 252.318 2 ↓

Analogs

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Popular Name: 5-[(1R)-1,2-dimethylpropyl]-3-(4-piperidyl)-1,2,4-oxadiazole 5-[(1R)-1,2-dimethylpropyl]-3-(4…

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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) 1.47 3.66 -43.46 2 4 1 56 224.328 3 ↓

Analogs

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Popular Name: 5-[(1S)-1,2-dimethylpropyl]-3-(4-piperidyl)-1,2,4-oxadiazole 5-[(1S)-1,2-dimethylpropyl]-3-(4…

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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) 1.47 3.66 -43.44 2 4 1 56 224.328 3 ↓

Analogs

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Popular Name: 5-(methylsulfonylmethyl)-3-(4-piperidyl)-1,2,4-oxadiazole 5-(methylsulfonylmethyl)-3-(4-pi…

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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) -0.79 -1.29 -56.76 2 6 1 90 246.312 3 ↓

Analogs

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Popular Name: N-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide N-ethyl-4-(5-methyl-1,2,4-oxadia…

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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) 1.00 2.17 -13.89 1 6 0 71 238.291 2 ↓

Analogs

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Popular Name: N-allyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide N-allyl-4-(5-methyl-1,2,4-oxadia…

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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) 1.27 2.7 -13.86 1 6 0 71 250.302 3 ↓

Analogs

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Popular Name: 5-(2-methylsulfanylethyl)-3-(4-piperidyl)-1,2,4-oxadiazole 5-(2-methylsulfanylethyl)-3-(4-p…

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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) 0.55 3.17 -44.4 2 4 1 56 228.341 4 ↓

Analogs

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Popular Name: 5-(methylsulfanylmethyl)-3-(4-piperidyl)-1,2,4-oxadiazole 5-(methylsulfanylmethyl)-3-(4-pi…

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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) 0.34 2.38 -45.33 2 4 1 56 214.314 3 ↓

Analogs

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Popular Name: 5-Ethyl-3-(piperidin-4-yl)-1,2,4-oxadiazole 5-Ethyl-3-(piperidin-4-yl)-1,2,4…

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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 1.95 -44.12 2 4 1 56 182.247 2 ↓

Analogs

41218823
41218823

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Popular Name: 5-ISOPROPYL-3-(PIPERIDIN-4-YL)-1,2,4-OXADIAZOLE HCL 5-ISOPROPYL-3-(PIPERIDIN-4-YL)-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) 0.88 2.55 -43.83 2 4 1 56 196.274 2 ↓

Analogs

62253234
62253234

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Popular Name: 4-[5-(2-Methylpropyl)-1,2,4-oxadiazol-3-yl]piperidine hydrochloride 4-[5-(2-Methylpropyl)-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) 1.14 3.25 -43.65 2 4 1 56 210.301 3 ↓

Analogs

41207080
41207080

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Popular Name: 4-(5-tert-Butyl-1,2,4-oxadiazol-3-yl)piperidine hydrochloride 4-(5-tert-Butyl-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) 1.55 3.07 -43.6 2 4 1 56 210.301 2 ↓

Analogs

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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) 0.56 2.24 -13.71 1 8 0 98 324.381 5 ↓

Analogs

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Popular Name: methyl methyl

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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) -0.87 -1.73 -66.69 3 9 1 130 319.363 5 ↓
Hi High (pH 8-9.5) -0.87 -1.92 -20.43 2 9 0 129 318.355 5 ↓

Parameters Provided:

ring.id = 294253
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 = 294253 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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