UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

50821933
50821933
26105707
26105707
26117640
26117640
31169689
31169689
26124941
26124941

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Popular Name: 4-(chloromethyl)-N-cyclopropyl-N-(4-pyridylmethyl)benzamide 4-(chloromethyl)-N-cyclopropyl-N…

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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) 1.96 9.02 -10.19 0 3 0 33 300.789 5 ↓
Lo Low (pH 4.5-6) 1.96 9.48 -45.64 1 3 1 34 301.797 5 ↓

Analogs

50822032
50822032
50822069
50822069
36776535
36776535

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Popular Name: 3-(chloromethyl)-N-cyclopropyl-N-(4-pyridylmethyl)benzamide 3-(chloromethyl)-N-cyclopropyl-N…

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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) 1.93 9.01 -9.91 0 3 0 33 300.789 5 ↓
Lo Low (pH 4.5-6) 1.93 9.47 -45.06 1 3 1 34 301.797 5 ↓

Analogs

55228173
55228173
55228177
55228177
35366400
35366400

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Popular Name: 2-amino-N-cyclopropyl-N-(4-pyridylmethyl)benzamide 2-amino-N-cyclopropyl-N-(4-pyrid…

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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) 0.81 6.04 -9.32 2 4 0 59 267.332 4 ↓
Lo Low (pH 4.5-6) 0.81 6.5 -38.43 3 4 1 60 268.34 4 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(methylamino)-N-(4-pyridylmethyl)benzamide N-cyclopropyl-2-(methylamino)-N-…

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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) 1.19 7.02 -9.54 1 4 0 45 281.359 5 ↓
Lo Low (pH 4.5-6) 1.19 7.47 -38.61 2 4 1 46 282.367 5 ↓

Parameters Provided:

ring.id = 297358
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 = 297358 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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