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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-1,2,3-trimethyl-indole-5-carboxamide N-[(4-fluorophenyl)methyl]-1,2,3…

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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) 3.56 1.25 -11.73 1 3 0 34 310.372 3 ↓

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]-N,2,3-trimethyl-1H-indole-5-carboxamide N-[(3-methoxyphenyl)methyl]-N,2,…

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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) 3.13 8.86 -11.38 1 4 0 45 322.408 4 ↓

Analogs

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Popular Name: N-[[4-(methanesulfonamido)phenyl]methyl]-2,3-dimethyl-1H-indole-5-carboxamide N-[[4-(methanesulfonamido)phenyl…

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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) 2.56 4.61 -46.44 2 6 -1 93 370.454 5 ↓
Lo Low (pH 4.5-6) 2.56 4.46 -19.45 3 6 0 91 371.462 5 ↓

Analogs

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Popular Name: 4-[[(2,3-dimethyl1H-indole-5-carbonyl)amino]methyl]benzoic 4-[[(2,3-dimethyl1H-indole-5-car…

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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) 3.24 7.46 -55.37 2 5 -1 85 321.356 4 ↓

Analogs

16784114
16784114

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Popular Name: N-[(2,4-dimethylphenyl)methyl]-N,2,3-trimethyl-1H-indole-5-carboxamide N-[(2,4-dimethylphenyl)methyl]-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) 3.93 11.52 -15.61 1 3 0 36 320.436 3 ↓

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide N-[(2-fluorophenyl)methyl]-2,3-d…

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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) 3.44 7.87 -12.38 2 3 0 45 296.345 3 ↓

Analogs

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Popular Name: N-[(4-bromophenyl)methyl]-N-methyl-1H-indole-5-carboxamide N-[(4-bromophenyl)methyl]-N-meth…

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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) 3.31 9.03 -12.92 1 3 0 36 343.224 3 ↓

Analogs

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Popular Name: N-allyl-N-[(3-methoxyphenyl)methyl]-1H-indole-5-carboxamide N-allyl-N-[(3-methoxyphenyl)meth…

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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) 3.18 8.91 -12.53 1 4 0 45 320.392 6 ↓

Parameters Provided:

ring.id = 4506
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 = 4506 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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