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Analogs

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Popular Name: 8-(4-dimethylaminophenyl)-N-(4-methoxyphenyl)-1,5,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine 8-(4-dimethylaminophenyl)-N-(4-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) 4.32 0.71 -14.72 1 6 0 54 359.433 5 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-8-(p-tolyl)-1,5,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine N-(4-methoxyphenyl)-8-(p-tolyl)-…

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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) 4.67 1.06 -14.1 1 5 0 51 330.391 4 ↓

Analogs

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Popular Name: 2-methoxy-4-[9-(4-methoxyphenyl)amino-2,4-dimethyl-1,5,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8- 2-methoxy-4-[9-(4-methoxyphenyl)…

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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) 4.22 -0.46 -17.89 2 7 0 80 390.443 5 ↓

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-8-(p-tolyl)-1,5,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine N-(3,4-dimethoxyphenyl)-8-(p-tol…

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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 1.25 -15.92 1 6 0 60 360.417 5 ↓

Analogs

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Popular Name: 4-[7-(3,4-dimethoxyphenyl)amino-2,6,9-triazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-yl]-2-methoxy-pheno 4-[7-(3,4-dimethoxyphenyl)amino-…

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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) 3.15 -0.58 -18.22 2 8 0 90 392.415 6 ↓

Analogs

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Popular Name: 3-[7-(3,4-dimethoxyphenyl)amino-2,6,9-triazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-yl]phenol 3-[7-(3,4-dimethoxyphenyl)amino-…

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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 -0.93 -18.06 2 7 0 80 362.389 5 ↓

Analogs

3911573
3911573
4903639
4903639

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Popular Name: 4-[7-(2,4-dimethylphenyl)amino-2,6,9-triazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-yl]-2-methoxy-phenol 4-[7-(2,4-dimethylphenyl)amino-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) 4.33 11.04 -15.19 2 6 0 72 360.417 4 ↓
Lo Low (pH 4.5-6) 4.33 11.37 -30.52 3 6 1 73 361.425 4 ↓

Analogs

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Popular Name: 4-[7-(3,4-dimethylphenyl)amino-2,6,9-triazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-yl]-2-methoxy-phenol 4-[7-(3,4-dimethylphenyl)amino-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) 4.33 -0.36 -15.49 2 6 0 71 360.417 4 ↓

Analogs

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Popular Name: 2-[7-(3,4-dimethylphenyl)amino-2,6,9-triazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-yl]phenol 2-[7-(3,4-dimethylphenyl)amino-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) 4.72 -0.08 -15.89 2 5 0 62 330.391 3 ↓

Analogs

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Popular Name: 3-[7-(3,5-dimethylphenyl)amino-2,6,9-triazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-yl]phenol 3-[7-(3,5-dimethylphenyl)amino-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) 4.49 -0.58 -14.77 2 5 0 62 330.391 3 ↓

Analogs

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Popular Name: 2-[7-(2,5-dimethylphenyl)amino-2,6,9-triazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-yl]phenol 2-[7-(2,5-dimethylphenyl)amino-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) 4.72 0.25 -15.46 2 5 0 62 330.391 3 ↓

Analogs

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Popular Name: [4-[[2-(4-hydroxy-3-methoxy-phenyl)imidazo[1,2-a]pyrimidin-3-yl]amino]phenyl] [4-[[2-(4-hydroxy-3-methoxy-phen…

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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) 3.73 11.6 -19.33 2 8 0 98 404.426 7 ↓
Lo Low (pH 4.5-6) 3.73 12.03 -36.57 3 8 1 99 405.434 7 ↓

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) 4.42 11.77 -16.47 2 7 0 89 374.4 6 ↓

Parameters Provided:

ring.id = 4025
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 = 4025 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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