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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[3-[benzyl(methyl)amino]propyl]-2-iodo-3-methyl-benzamide N-[3-[benzyl(methyl)amino]propyl…

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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) 4.26 11.06 -48.53 2 3 1 34 423.318 7 ↓

Analogs

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Popular Name: N-[3-[benzyl(methyl)amino]propyl]-5-chloro-2-iodo-benzamide N-[3-[benzyl(methyl)amino]propyl…

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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) 4.52 10.96 -46.37 2 3 1 34 443.736 7 ↓

Analogs

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Popular Name: N-[3-[benzyl(methyl)amino]propyl]-4-chloro-2-iodo-benzamide N-[3-[benzyl(methyl)amino]propyl…

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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) 4.52 10.95 -49.58 2 3 1 34 443.736 7 ↓

Analogs

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Popular Name: 2-fluoro-N-[3-[[4-methoxy-3-(2-methylallyloxy)phenyl]methylamino]propyl]benzamide 2-fluoro-N-[3-[[4-methoxy-3-(2-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) 3.54 9.01 -63.64 3 5 1 64 387.475 11 ↓

Analogs

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Popular Name: N-[3-[benzyl(methyl)amino]propyl]-5-bromo-2-iodo-benzamide N-[3-[benzyl(methyl)amino]propyl…

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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) 4.65 10.96 -44.37 2 3 1 34 488.187 7 ↓
Hi High (pH 8-9.5) 4.65 8.63 -6.58 1 3 0 32 487.179 7 ↓

Analogs

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Popular Name: N-[3-[benzyl(methyl)amino]propyl]-2-methyl-5-nitro-benzamide N-[3-[benzyl(methyl)amino]propyl…

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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) 3.17 10.64 -46.68 2 6 1 79 342.419 8 ↓
Hi High (pH 8-9.5) 3.17 8.31 -8.77 1 6 0 78 341.411 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[benzyl(methyl)amino]propyl]-5-chloro-2-nitro-benzamide N-[3-[benzyl(methyl)amino]propyl…

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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) 3.40 11.17 -50.21 2 6 1 79 362.837 8 ↓
Hi High (pH 8-9.5) 3.40 8.84 -13.12 1 6 0 78 361.829 8 ↓

Analogs

42453837
42453837
34960034
34960034
34960070
34960070
34960107
34960107
16188523
16188523

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Popular Name: N-[3-[benzyl(methyl)amino]propyl]-4-fluoro-benzamide N-[3-[benzyl(methyl)amino]propyl…

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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) 2.99 9.34 -47.85 2 3 1 34 301.385 7 ↓
Hi High (pH 8-9.5) 2.99 7.01 -8.53 1 3 0 32 300.377 7 ↓

Analogs

36731289
36731289
36883402
36883402
36883407
36883407
36883411
36883411
19074959
19074959

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Popular Name: N-[3-[benzyl(methyl)amino]propyl]benzamide N-[3-[benzyl(methyl)amino]propyl…

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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) 2.83 9.26 -46.58 2 3 1 34 283.395 7 ↓
Hi High (pH 8-9.5) 2.83 6.94 -9.17 1 3 0 32 282.387 7 ↓

Analogs

42454946
42454946
42454947
42454947
78773565
78773565
36731120
36731120
36731212
36731212

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Popular Name: N-[3-[benzyl(methyl)amino]propyl]-3-fluoro-benzamide N-[3-[benzyl(methyl)amino]propyl…

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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) 2.97 9.33 -50.07 2 3 1 34 301.385 7 ↓

Analogs

42455116
42455116
42455117
42455117
43416770
43416770
36731212
36731212
36731282
36731282

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Popular Name: N-[3-[benzyl(methyl)amino]propyl]-3,4-difluoro-benzamide N-[3-[benzyl(methyl)amino]propyl…

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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) 3.09 9.4 -51.93 2 3 1 34 319.375 7 ↓

Parameters Provided:

ring.id = 12905
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 = 12905 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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