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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: 3-nitropyrazolo[5,1-c][1,2,4]triazin-4-amine 3-nitropyrazolo[5,1-c][1,2,4]tri…

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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) -0.05 2.85 -10.9 2 8 0 115 180.127 1 ↓

Analogs

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Popular Name: 4-[2-(4-amino-8-cyano-7-methylsulfanyl-pyrazolo[5,1-c][1,2,4]triazin-3-yl)thiazol-4-yl]-N,N-dimethyl 4-[2-(4-amino-8-cyano-7-methylsu…

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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) 1.98 5.87 -17.27 2 10 0 143 472.581 5 ↓

Analogs

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Popular Name: 8-(4-bromophenyl)-7-(methoxymethyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]tria 8-(4-bromophenyl)-7-(methoxymeth…

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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) 5.21 9.86 -9.15 1 7 0 81 520.309 6 ↓

Analogs

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Popular Name: 8-(4-bromophenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-car 8-(4-bromophenyl)-7-(methoxymeth…

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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) 6.09 11.74 -8.94 1 8 0 91 544.409 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-bromophenyl)-7-(methoxymethyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]tria 8-(4-bromophenyl)-7-(methoxymeth…

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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) 5.18 10.15 -8.1 1 7 0 81 520.309 6 ↓
Hi High (pH 8-9.5) 5.25 8.48 -40.47 0 7 -1 88 519.301 6 ↓

Analogs

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Popular Name: (4-benzylpiperazin-1-yl)-[8-(4-bromophenyl)-7-(methoxymethyl)-4-methyl-pyrazolo[5,1-c][1,2,4]triazin (4-benzylpiperazin-1-yl)-[8-(4-b…

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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) 4.17 9.84 -11.36 0 8 0 76 535.446 6 ↓
Lo Low (pH 4.5-6) 4.17 12.06 -51.87 1 8 1 77 536.454 6 ↓

Analogs

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Popular Name: ethyl 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) 6.15 13.03 -8.59 0 7 0 79 527.444 9 ↓

Analogs

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Popular Name: 5-[(2-bromophenoxy)methyl]-N-(3-cyanopyrazolo[5,1-c][1,2,4]triazin-4-yl)-2-furamide 5-[(2-bromophenoxy)methyl]-N-(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) 3.17 8.24 -13.22 1 9 0 118 439.229 5 ↓

Analogs

40163987
40163987

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Popular Name: 2,8-dimethyl-N-(o-tolyl)-7-phenyl-1,4,5,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene-3-carboxamide 2,8-dimethyl-N-(o-tolyl)-7-pheny…

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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) 3.95 1.51 -7.99 1 6 0 72 357.417 3 ↓

Analogs

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Popular Name: 7-(4-fluorophenyl)-2,8-dimethyl-N-(o-tolyl)-1,4,5,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene-3-car 7-(4-fluorophenyl)-2,8-dimethyl-…

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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) 4.12 2.25 -7.69 1 6 0 72 375.407 3 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-5,8-dimethyl-9-phenyl-2,3,6,7-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraene-4-carbox N-(3-chlorophenyl)-5,8-dimethyl-…

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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) 4.21 0.8 -8.68 1 6 0 72 377.835 3 ↓

Analogs

9134442
9134442

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Popular Name: N-(4-fluorophenyl)-5,8-dimethyl-9-phenyl-2,3,6,7-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraene-4-carbox N-(4-fluorophenyl)-5,8-dimethyl-…

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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) 3.72 1.68 -7.98 1 6 0 72 361.38 3 ↓

Analogs

40163987
40163987

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Popular Name: N-(4-ethylphenyl)-2,8-dimethyl-7-phenyl-1,4,5,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene-3-carboxa N-(4-ethylphenyl)-2,8-dimethyl-7…

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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) 4.47 1.42 -7.74 1 6 0 72 371.444 4 ↓

Analogs

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Popular Name: 9-(4-chlorophenyl)-5,8-dimethyl-N-phenyl-2,3,6,7-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraene-4-carbox 9-(4-chlorophenyl)-5,8-dimethyl-…

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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) 4.23 0.82 -7.36 1 6 0 72 377.835 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-(4-chlorophenyl)-N-(4-methoxyphenyl)-5,8-dimethyl-2,3,6,7-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetrae 9-(4-chlorophenyl)-N-(4-methoxyp…

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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) 4.29 0.82 -8.25 1 7 0 81 407.861 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile 4-amino-7-methylpyrazolo[5,1-c][…

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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) 0.08 2.03 -7.85 2 6 0 93 174.167 0 ↓

Parameters Provided:

ring.id = 52669
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 = 52669 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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