UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 3.24 7.57 -46.19 3 5 1 76 346.447 8 ↓
Hi High (pH 8-9.5) 3.24 6.23 -17.02 2 5 0 72 345.439 8 ↓

Analogs

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

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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) 4.02 9.14 -46.95 3 5 1 76 374.501 10 ↓

Analogs

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Popular Name: 5-(cyclohexylmethoxy)-3-[[(2-hydroxy-1,1-dimethyl-ethyl)amino]methyl]chromen-4-one 5-(cyclohexylmethoxy)-3-[[(2-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) 3.78 7.91 -41.57 3 5 1 76 360.474 7 ↓

Analogs

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Popular Name: 5-(cyclohexylmethoxy)-3-[[[(1S)-1-(hydroxymethyl)-2,2-dimethyl-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) 4.66 9.54 -36.99 3 5 1 76 388.528 8 ↓

Analogs

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Popular Name: 5-(cyclohexylmethoxy)-3-[[[(1R)-1-(hydroxymethyl)-2,2-dimethyl-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) 4.66 9.3 -42.81 3 5 1 76 388.528 8 ↓

Parameters Provided:

ring.id = 40136
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 = 40136 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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