UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)tetrazol-5-yl]methanamine [1-(3,4-dihydro-2H-1,5-benzodiox…

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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) -0.13 1.7 -59.64 3 7 1 90 248.266 2 ↓
Hi High (pH 8-9.5) -0.13 1.59 -10.49 2 7 0 88 247.258 2 ↓

Analogs

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Popular Name: 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)tetrazol-5-yl]-N-methyl-methanamine 1-[1-(3,4-dihydro-2H-1,5-benzodi…

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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) 0.25 3.57 -53.42 2 7 1 79 262.293 3 ↓
Hi High (pH 8-9.5) 0.25 2.8 -9.47 1 7 0 74 261.285 3 ↓

Analogs

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Popular Name: N-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)tetrazol-5-yl]methyl]ethanamine N-[[1-(3,4-dihydro-2H-1,5-benzod…

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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) 0.62 4.43 -52.52 2 7 1 79 276.32 4 ↓
Hi High (pH 8-9.5) 0.62 3.71 -9.25 1 7 0 74 275.312 4 ↓

Analogs

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Popular Name: N-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)tetrazol-5-yl]methyl]propan-1-amine N-[[1-(3,4-dihydro-2H-1,5-benzod…

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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) 1.12 5.19 -53.3 2 7 1 79 290.347 5 ↓
Hi High (pH 8-9.5) 1.12 4.48 -9.14 1 7 0 74 289.339 5 ↓

Analogs

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Popular Name: N-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)tetrazol-5-yl]methyl]propan-2-amine N-[[1-(3,4-dihydro-2H-1,5-benzod…

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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) 0.92 4.96 -49.91 2 7 1 79 290.347 4 ↓
Hi High (pH 8-9.5) 0.92 4.31 -8.87 1 7 0 74 289.339 4 ↓

Parameters Provided:

ring.id = 151622
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 = 151622 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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