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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-1H-benzotriazole-5-carboxamide N-[(1S)-2-hydroxy-1-phenyl-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) 1.41 1.48 -13.25 3 6 0 91 282.303 4 ↓
Hi High (pH 8-9.5) 1.41 1.58 -42.53 2 6 -1 89 281.295 4 ↓

Analogs

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Popular Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]-1H-benzotriazole-5-carboxamide N-[(1R)-2-hydroxy-1-phenyl-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) 1.41 1.48 -13.26 3 6 0 91 282.303 4 ↓
Hi High (pH 8-9.5) 1.41 1.57 -42.55 2 6 -1 89 281.295 4 ↓

Analogs

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Popular Name: N-ethyl-1-methyl-N-[(3-nitrophenyl)methyl]benzotriazole-5-carboxamide N-ethyl-1-methyl-N-[(3-nitrophen…

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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) 2.01 8.36 -25.98 0 8 0 97 339.355 5 ↓

Analogs

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Popular Name: N-[[4-(diethylamino)-3-fluoro-phenyl]methyl]-1-methyl-benzotriazole-5-carboxamide N-[[4-(diethylamino)-3-fluoro-ph…

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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) 2.87 7.8 -15.69 1 6 0 63 355.417 6 ↓
Lo Low (pH 4.5-6) 2.87 7.58 -49.68 2 6 1 64 356.425 6 ↓

Analogs

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Popular Name: N-benzyl-1-methyl-N-(2,2,2-trifluoroethyl)benzotriazole-5-carboxamide N-benzyl-1-methyl-N-(2,2,2-trifl…

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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) 2.62 8.08 -12.08 0 5 0 51 348.328 5 ↓

Analogs

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Popular Name: N-ethyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-1-methyl-benzotriazole-5-carboxamide N-ethyl-N-[(1S)-1-(4-methoxyphen…

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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) 3.19 7.94 -12.76 0 6 0 60 352.438 6 ↓

Analogs

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Popular Name: N-ethyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-1-methyl-benzotriazole-5-carboxamide N-ethyl-N-[(1R)-1-(4-methoxyphen…

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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) 3.19 7.04 -20.57 0 6 0 60 352.438 6 ↓

Analogs

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Popular Name: N-allyl-N-[(2-chlorophenyl)methyl]-1H-benzotriazole-5-carboxamide N-allyl-N-[(2-chlorophenyl)methy…

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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) 2.90 7.45 -12.64 1 5 0 62 326.787 5 ↓
Hi High (pH 8-9.5) 2.90 7.32 -44.97 0 5 -1 60 325.779 5 ↓

Parameters Provided:

ring.id = 63149
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 = 63149 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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