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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-(4-methoxyphenyl)chromen-4-one 8-(azepan-1-ylmethyl)-7-hydroxy-…

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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) 4.71 9.53 -54.75 2 5 1 64 380.464 4 ↓
Mid Mid (pH 6-8) 4.71 9.98 -38.78 1 5 0 67 379.456 4 ↓

Analogs

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Popular Name: 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-chromen-4-one 8-(azepan-1-ylmethyl)-3-(3,4-dim…

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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) 4.52 9.75 -60.55 2 6 1 73 424.517 5 ↓
Hi High (pH 8-9.5) 4.52 10.37 -36.96 1 6 0 76 423.509 5 ↓

Analogs

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Popular Name: 8-(azepan-1-ylmethyl)-3-(4-bromophenyl)-7-hydroxy-chromen-4-one 8-(azepan-1-ylmethyl)-3-(4-bromo…

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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) 5.46 10.54 -47.09 2 4 1 55 429.334 3 ↓
Hi High (pH 8-9.5) 5.46 11.3 -32.61 1 4 0 58 428.326 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(azepan-1-ylmethyl)-3-(4-bromophenyl)-7-hydroxy-2-methyl-chromen-4-one 8-(azepan-1-ylmethyl)-3-(4-bromo…

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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) 5.68 11.14 -46.25 2 4 1 55 443.361 3 ↓
Hi High (pH 8-9.5) 5.68 12.04 -31.4 1 4 0 58 442.353 3 ↓

Analogs

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Popular Name: 8-(azepan-1-ylmethyl)-3-(4-bromophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one 8-(azepan-1-ylmethyl)-3-(4-bromo…

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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) 6.59 11.43 -42.46 2 4 1 55 497.331 4 ↓
Hi High (pH 8-9.5) 6.59 12.28 -23.61 1 4 0 58 496.323 4 ↓

Parameters Provided:

ring.id = 71767
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 = 71767 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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