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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[3-chloro-4-(1-naphthylmethoxy)benzyl]-N-(2-methylphenyl)amine N-[3-chloro-4-(1-naphthylmethoxy…

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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) 7.01 0.56 -7.3 1 2 0 21 387.91 6 ↓

Analogs

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Popular Name: N-[3-chloro-5-methoxy-4-(1-naphthylmethoxy)benzyl]-N-(2,4-dimethylphenyl)amine N-[3-chloro-5-methoxy-4-(1-napht…

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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) 7.22 14.66 -8.1 1 3 0 30 431.963 7 ↓

Analogs

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Popular Name: N-[3,5-dibromo-4-(1-naphthylmethoxy)benzyl]-N-(2-methylphenyl)amine N-[3,5-dibromo-4-(1-naphthylmeth…

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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) 7.88 -0.62 -6.15 1 2 0 21 511.257 6 ↓

Analogs

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Popular Name: N-[3-bromo-5-methoxy-4-(1-naphthylmethoxy)benzyl]-N-(4-ethoxyphenyl)amine N-[3-bromo-5-methoxy-4-(1-naphth…

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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) 6.96 -0.15 -9.64 1 4 0 39 492.413 9 ↓

Analogs

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Popular Name: N-[3-ethoxy-4-(1-naphthylmethoxy)benzyl]-N-(2-methylphenyl)amine N-[3-ethoxy-4-(1-naphthylmethoxy…

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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) 6.37 0.96 -8.47 1 3 0 30 397.518 8 ↓

Analogs

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Popular Name: N-[3-ethoxy-5-iodo-4-(1-naphthylmethoxy)benzyl]-N-(2-methylphenyl)amine N-[3-ethoxy-5-iodo-4-(1-naphthyl…

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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) 7.58 0.31 -7.42 1 3 0 30 523.414 8 ↓

Analogs

37048504
37048504

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Popular Name: N-[3-bromo-5-ethoxy-4-(1-naphthylmethoxy)benzyl]-N-(2,3-dimethylphenyl)amine N-[3-bromo-5-ethoxy-4-(1-naphthy…

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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) 7.71 0.59 -7.88 1 3 0 30 490.441 8 ↓

Analogs

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Popular Name: N-[3-chloro-5-methoxy-4-(1-naphthylmethoxy)benzyl]-N-(4-methoxyphenyl)amine N-[3-chloro-5-methoxy-4-(1-napht…

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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) 6.45 0.43 -9.88 1 4 0 39 433.935 8 ↓

Analogs

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Popular Name: N-[3,5-dichloro-4-(1-naphthylmethoxy)benzyl]-N-(4-methylphenyl)amine N-[3,5-dichloro-4-(1-naphthylmet…

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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) 7.67 0.36 -6.42 1 2 0 21 422.355 6 ↓

Analogs

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Popular Name: N-[3-bromo-4-(1-naphthylmethoxy)benzyl]-N-(4-methylphenyl)amine N-[3-bromo-4-(1-naphthylmethoxy)…

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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) 7.19 -0.23 -7.11 1 2 0 21 432.361 6 ↓

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-N-[3-ethoxy-5-iodo-4-(1-naphthylmethoxy)benzyl]amine N-(2,5-dimethylphenyl)-N-[3-etho…

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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) 8.00 0.63 -7.47 1 3 0 30 537.441 8 ↓

Analogs

37048504
37048504

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Popular Name: N-[3-bromo-5-ethoxy-4-(1-naphthylmethoxy)benzyl]-N-(2,5-dimethylphenyl)amine N-[3-bromo-5-ethoxy-4-(1-naphthy…

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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) 7.73 0.69 -7.87 1 3 0 30 490.441 8 ↓

Parameters Provided:

ring.id = 232717
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 = 232717 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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