UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-indan-5-yl-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-indan-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) 3.35 5.17 -6.98 0 3 0 39 307.191 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-indan-5-yl-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-indan-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) 3.35 5.17 -6.99 0 3 0 39 307.191 3 ↓

Analogs

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Popular Name: (1S)-1-(5-indan-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine (1S)-1-(5-indan-5-yl-1,3,4-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) 0.15 1.93 -44.47 3 4 1 67 244.318 3 ↓
Hi High (pH 8-9.5) 0.15 1.6 -6.37 2 4 0 65 243.31 3 ↓

Analogs

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Popular Name: (1R)-1-(5-indan-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine (1R)-1-(5-indan-5-yl-1,3,4-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) 0.15 1.93 -44.51 3 4 1 67 244.318 3 ↓
Hi High (pH 8-9.5) 0.15 1.57 -7.64 2 4 0 65 243.31 3 ↓

Analogs

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Popular Name: 3-(5-indan-5-yl-1,3,4-oxadiazol-2-yl)propanoic 3-(5-indan-5-yl-1,3,4-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) 1.47 4.51 -44.75 0 5 -1 79 257.269 4 ↓

Analogs

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Popular Name: 4-(5-indan-5-yl-1,3,4-oxadiazol-2-yl)butanoic 4-(5-indan-5-yl-1,3,4-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) 1.75 5.29 -50.35 0 5 -1 79 271.296 5 ↓

Analogs

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Popular Name: 5-(5-indan-5-yl-1,3,4-oxadiazol-2-yl)pentanoic 5-(5-indan-5-yl-1,3,4-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) 2.25 6.07 -48.26 0 5 -1 79 285.323 6 ↓

Parameters Provided:

ring.id = 220229
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 = 220229 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=220229&filter.purchasability=annotated

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