UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12023015
12023015

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Popular Name: N-[[(2S)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carbo N-[[(2S)-8-[(E)-3-(4-methoxyphen…

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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) 3.66 -0.35 -45.92 2 6 1 65 411.522 7 ↓

Analogs

12023008
12023008

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Popular Name: N-[[(2R)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carbo N-[[(2R)-8-[(E)-3-(4-methoxyphen…

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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) 3.66 -0.44 -49.48 2 6 1 65 411.522 7 ↓

Analogs

12213231
12213231

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Popular Name: N-[[(2S)-8-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2 N-[[(2S)-8-[(E)-3-(4-dimethylami…

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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) 3.71 -0.35 -43.23 2 6 1 59 424.565 7 ↓

Analogs

12213228
12213228

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Popular Name: N-[[(2R)-8-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2 N-[[(2R)-8-[(E)-3-(4-dimethylami…

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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) 3.71 -0.48 -46.54 2 6 1 59 424.565 7 ↓

Analogs

12213634
12213634

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Popular Name: N-[[(2S)-8-cinnamyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide N-[[(2S)-8-cinnamyl-1-oxa-8-azas…

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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) 3.60 -0.41 -44.75 2 5 1 56 381.496 6 ↓

Analogs

12213632
12213632

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Popular Name: N-[[(2R)-8-cinnamyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide N-[[(2R)-8-cinnamyl-1-oxa-8-azas…

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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) 3.60 -0.41 -43.42 2 5 1 56 381.496 6 ↓

Parameters Provided:

ring.id = 76271
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 = 76271 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=76271&filter.purchasability=annotated

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