UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-allyloxy-N-cyclopropyl-3-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide 4-allyloxy-N-cyclopropyl-3-ethox…

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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) 1.71 9 -14.19 0 6 0 57 355.438 9 ↓

Analogs

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Popular Name: 2-[3-[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]anilino]acetic 2-[3-[cyclopropyl-[(1,3,5-trimet…

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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) -0.34 7.57 -48.77 1 7 -1 90 355.418 7 ↓
Lo Low (pH 4.5-6) -0.34 5.58 -15.59 2 7 0 87 356.426 7 ↓

Analogs

6663961
6663961

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Popular Name: 4-(2-amino-2-oxo-ethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide 4-(2-amino-2-oxo-ethoxy)-N-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) 0.28 5.36 -19.47 2 7 0 90 356.426 7 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(2-methylallyloxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide N-cyclopropyl-2-(2-methylallylox…

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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 9.58 -13.6 0 5 0 47 353.466 7 ↓

Analogs

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Popular Name: 3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide 3-chloro-N-cyclopropyl-4-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) 1.43 4.88 -12.48 1 5 0 58 305.765 4 ↓
Hi High (pH 8-9.5) 1.43 5.65 -41.83 0 5 -1 61 304.757 4 ↓

Parameters Provided:

ring.id = 387512
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 = 387512 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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