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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(benzylamino)methyl]-5-(cyclohexylmethoxy)chromen-4-one 3-[(benzylamino)methyl]-5-(cyclo…

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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) 5.00 13.15 -46.5 2 4 1 56 378.492 7 ↓
Hi High (pH 8-9.5) 5.00 11.8 -13.46 1 4 0 51 377.484 7 ↓

Analogs

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Popular Name: 5-(cyclohexylmethoxy)-3-[[(4-methoxyphenyl)methylamino]methyl]chromen-4-one 5-(cyclohexylmethoxy)-3-[[(4-met…

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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) 5.06 12.45 -49.38 2 5 1 65 408.518 8 ↓
Hi High (pH 8-9.5) 5.06 11.1 -14.5 1 5 0 61 407.51 8 ↓

Analogs

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Popular Name: 5-(cyclohexylmethoxy)-3-[[[(1R)-3-hydroxy-1-phenyl-propyl]amino]methyl]chromen-4-one 5-(cyclohexylmethoxy)-3-[[[(1R)-…

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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) 3.92 11.15 -42.75 3 5 1 76 422.545 9 ↓
Mid Mid (pH 6-8) 3.92 9.97 -15.74 2 5 0 72 421.537 9 ↓

Analogs

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Popular Name: 5-(cyclohexylmethoxy)-3-[[[(1S)-3-hydroxy-1-phenyl-propyl]amino]methyl]chromen-4-one 5-(cyclohexylmethoxy)-3-[[[(1S)-…

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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) 3.92 11.18 -48.11 3 5 1 76 422.545 9 ↓
Mid Mid (pH 6-8) 3.92 9.88 -14.38 2 5 0 72 421.537 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(cyclohexylmethoxy)-3-[[(4-hydroxyphenyl)methylamino]methyl]chromen-4-one 5-(cyclohexylmethoxy)-3-[[(4-hyd…

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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 10.3 -50.57 3 5 1 76 394.491 7 ↓
Hi High (pH 8-9.5) 4.52 8.94 -17.19 2 5 0 72 393.483 7 ↓

Parameters Provided:

ring.id = 38912
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 = 38912 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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