UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-7-ethyl-chromen-2-one 4-[[cyclopropyl(2-hydroxyethyl)a…

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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) 2.37 7.71 -48.15 2 4 1 55 288.367 6 ↓
Hi High (pH 8-9.5) 2.37 5.57 -12.47 1 4 0 54 287.359 6 ↓

Analogs

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Popular Name: 4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-6,7-dimethyl-chromen-2-one 4-[[cyclopropyl(2-hydroxyethyl)a…

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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) 2.28 7.51 -47.31 2 4 1 55 288.367 5 ↓
Hi High (pH 8-9.5) 2.28 5.36 -12.47 1 4 0 54 287.359 5 ↓

Analogs

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Popular Name: 4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-7-hydroxy-8-methyl-chromen-2-one 4-[[cyclopropyl(2-hydroxyethyl)a…

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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) 1.82 4.16 -50.42 3 5 1 75 290.339 5 ↓
Hi High (pH 8-9.5) 1.82 2.03 -13.85 2 5 0 74 289.331 5 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[(7-hydroxy-2-oxo-chromen-4-yl)methyl]amino]acetic 2-[cyclopropyl-[(7-hydroxy-2-oxo…

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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) -0.06 6.35 -45.62 2 6 0 95 289.287 5 ↓
Hi High (pH 8-9.5) -0.06 7.11 -69.76 1 6 -1 98 288.279 5 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[(7-methyl-2-oxo-chromen-4-yl)methyl]amino]acetic 2-[cyclopropyl-[(7-methyl-2-oxo-…

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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) 0.87 9.86 -43.55 1 5 0 75 287.315 5 ↓

Analogs

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Popular Name: 2-[(7-bromo-2-oxo-chromen-4-yl)methyl-cyclopropyl-amino]acetic 2-[(7-bromo-2-oxo-chromen-4-yl)m…

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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) 1.23 9.81 -44.36 1 5 0 75 352.184 5 ↓
Hi High (pH 8-9.5) 1.23 7.95 -48.91 0 5 -1 74 351.176 5 ↓

Parameters Provided:

ring.id = 360345
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 = 360345 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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