UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-hydroxy-benzamide 3-chloro-N-[4-[(4-ethylpiperazin…

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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) 3.29 6.22 -41.65 3 5 1 57 374.892 5 ↓
Hi High (pH 8-9.5) 3.29 6.99 -64.48 2 5 0 60 373.884 5 ↓
Hi High (pH 8-9.5) 3.29 3.94 -11.2 2 5 0 56 373.884 5 ↓

Analogs

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Popular Name: 3-(dimethylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide 3-(dimethylamino)-N-[4-[(4-ethyl…

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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) 2.98 8.9 -40.22 2 5 1 40 367.517 6 ↓
Hi High (pH 8-9.5) 2.98 6.6 -10.37 1 5 0 39 366.509 6 ↓

Analogs

46667917
46667917
32915632
32915632

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Popular Name: 2-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide 2-methoxy-N-[4-[(4-methylpiperaz…

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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) 3.08 8.29 -44.92 2 5 1 46 340.447 5 ↓
Hi High (pH 8-9.5) 3.08 5.91 -12.73 1 5 0 45 339.439 5 ↓

Analogs

71924042
71924042
19681496
19681496

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Popular Name: N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide N-[4-[(4-methylpiperazin-1-yl)me…

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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) 2.52 7.83 -38.92 2 4 1 37 310.421 4 ↓
Hi High (pH 8-9.5) 2.52 5.45 -9.68 1 4 0 36 309.413 4 ↓

Analogs

34654002
34654002

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Popular Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,5-difluoro-benzamide N-[4-[(4-ethylpiperazin-1-yl)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) 3.16 8.65 -38.41 2 4 1 37 360.428 5 ↓
Mid Mid (pH 6-8) 3.16 8.64 -41.86 2 4 1 37 360.428 5 ↓
Mid Mid (pH 6-8) 3.16 6.38 -10.45 1 4 0 36 359.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-hydroxy-benzamide N-[4-[(4-ethylpiperazin-1-yl)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) 3.39 6.95 -42.88 3 5 1 57 340.447 5 ↓
Hi High (pH 8-9.5) 3.39 4.67 -11.45 2 5 0 56 339.439 5 ↓

Parameters Provided:

ring.id = 29817
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 = 29817 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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