UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45000886
45000886

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Popular Name: N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-nitrophenyl)acetamide N-[2-(4-ethylpiperazin-1-yl)phen…

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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) 3.15 11.32 -47.71 2 7 1 83 369.445 6 ↓
Mid Mid (pH 6-8) 3.15 9.11 -12.56 1 7 0 81 368.437 6 ↓

Analogs

5200838
5200838
12533989
12533989
12818815
12818815
5089690
5089690

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Popular Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)-phenyl]-2-(3,4-dimethylphenyl)-acetamide N-[5-chloro-2-(4-methylpiperazin…

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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) 4.34 -0.31 -50.05 2 4 1 36 372.92 4 ↓

Analogs

37003965
37003965
37003966
37003966
5172747
5172747
5200815
5200815
5200837
5200837

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Popular Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)-phenyl]-2-(4-chlorophenyl)-acetamide N-[5-chloro-2-(4-methylpiperazin…

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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) 4.20 11.25 -51.74 2 4 1 37 379.311 4 ↓
Mid Mid (pH 6-8) 4.20 8.89 -8.82 1 4 0 36 378.303 4 ↓

Analogs

16468995
16468995
23139513
23139513

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Popular Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)-phenyl]-2-[3-(trifluoromethyl)phenyl]-acetamide N-[5-chloro-2-(4-methylpiperazin…

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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) 4.39 1.24 -52.6 2 4 1 36 412.863 5 ↓

Analogs

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Popular Name: N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide N-[2-(4-methylpiperazin-1-yl)phe…

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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) 2.50 9.33 -54.86 2 7 1 64 400.499 7 ↓
Mid Mid (pH 6-8) 2.50 6.98 -13.64 1 7 0 63 399.491 7 ↓

Analogs

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Popular Name: 2-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide 2-(3,4-dimethoxyphenyl)-N-[2-(4-…

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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) 2.51 9.41 -52.31 2 6 1 55 370.473 6 ↓
Mid Mid (pH 6-8) 2.51 7.06 -12.24 1 6 0 54 369.465 6 ↓

Parameters Provided:

ring.id = 140291
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 = 140291 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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