UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[2-[[5-(2-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-prop-2-ynyl-acetamide 2-[[2-[[5-(2-naphthyl)-1,3,4-oxa…

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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) 2.58 2.05 -13.68 2 7 0 97 380.429 7 ↓

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(2-naphthyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(2-naph…

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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) 4.12 5.54 -7.6 0 3 0 39 317.186 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-(2-naphthyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(2-naph…

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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) 4.12 5.54 -7.57 0 3 0 39 317.186 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(2-naphthyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(2-naphthyl)-1,3,4-oxa…

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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) 0.91 2.3 -45.52 3 4 1 67 254.313 3 ↓
Hi High (pH 8-9.5) 0.91 1.94 -8.26 2 4 0 65 253.305 3 ↓

Analogs

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Popular Name: (1R)-1-[5-(2-naphthyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(2-naphthyl)-1,3,4-oxa…

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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) 0.91 2.3 -45.59 3 4 1 67 254.313 3 ↓
Hi High (pH 8-9.5) 0.91 1.97 -7 2 4 0 65 253.305 3 ↓

Analogs

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Popular Name: N-[(1S)-1,2-dimethylpropyl]-N-ethyl-2-[[5-(2-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide N-[(1S)-1,2-dimethylpropyl]-N-et…

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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) 4.89 8 -10.6 0 5 0 59 383.517 7 ↓

Analogs

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Popular Name: N-[(1R)-1,2-dimethylpropyl]-N-ethyl-2-[[5-(2-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide N-[(1R)-1,2-dimethylpropyl]-N-et…

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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) 4.89 7.9 -10.69 0 5 0 59 383.517 7 ↓

Analogs

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Popular Name: 3-[5-(2-naphthyl)-1,3,4-oxadiazol-2-yl]propanoic 3-[5-(2-naphthyl)-1,3,4-oxadiazo…

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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) 2.24 4.88 -45.34 0 5 -1 79 267.264 4 ↓

Analogs

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Popular Name: 4-[5-(2-naphthyl)-1,3,4-oxadiazol-2-yl]butanoic 4-[5-(2-naphthyl)-1,3,4-oxadiazo…

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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) 2.51 5.66 -50.98 0 5 -1 79 281.291 5 ↓

Parameters Provided:

ring.id = 15993
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 = 15993 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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