UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

53129679
53129679
53129682
53129682
53129684
53129684
53129687
53129687
53129690
53129690

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[3-(2-pyridylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2S)-2-[3-(2-pyridylmethyl)-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) 2.08 2.41 -45.27 3 5 1 79 247.322 5 ↓
Hi High (pH 8-9.5) 2.08 2.2 -7.97 2 5 0 78 246.314 5 ↓
Lo Low (pH 4.5-6) 2.08 2.82 -90.32 4 5 2 81 248.33 5 ↓

Analogs

53129679
53129679
53129682
53129682
53129684
53129684
53129687
53129687
53129690
53129690

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[3-(2-pyridylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2R)-2-[3-(2-pyridylmethyl)-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) 2.08 2.4 -43.83 3 5 1 79 247.322 5 ↓
Hi High (pH 8-9.5) 2.08 2.13 -9.68 2 5 0 78 246.314 5 ↓
Lo Low (pH 4.5-6) 2.08 2.81 -92.76 4 5 2 81 248.33 5 ↓

Analogs

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

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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) 2.40 4.46 -8.34 0 4 0 52 282.141 4 ↓
Lo Low (pH 4.5-6) 2.40 4.87 -34.18 1 4 1 53 283.149 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.40 4.46 -8.6 0 4 0 52 282.141 4 ↓
Lo Low (pH 4.5-6) 2.40 4.87 -33.52 1 4 1 53 283.149 4 ↓

Analogs

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Popular Name: 4-[3-(2-pyridylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine 4-[3-(2-pyridylmethyl)-1,2,4-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) 0.35 2.08 -53.02 3 5 1 79 233.295 6 ↓
Lo Low (pH 4.5-6) 0.35 2.49 -90.24 4 5 2 81 234.303 6 ↓

Parameters Provided:

ring.id = 114190
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 = 114190 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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