UCSF
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Analogs

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Popular Name: 4-chloro-6-imidazol-1-yl-N-(3-methoxypropyl)-N-methyl-1,3,5-triazin-2-amine 4-chloro-6-imidazol-1-yl-N-(3-me…

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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) 1.59 11.27 -8.14 0 7 0 69 282.735 6 ↓
Lo Low (pH 4.5-6) 1.59 11.78 -33.86 1 7 1 70 283.743 6 ↓

Analogs

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Popular Name: 6-(2-undecylimidazol-1-yl)-1,3,5-triazine-2,4-diamine 6-(2-undecylimidazol-1-yl)-1,3,5…

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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) 4.24 15.02 -8.36 4 7 0 109 331.468 11 ↓
Mid Mid (pH 6-8) 4.24 15.5 -30.1 5 7 1 110 332.476 11 ↓

Analogs

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Popular Name: 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)imidazol-2-yl]ethanamine 2-[1-(4,6-dimethoxy-1,3,5-triazi…

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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) -0.78 0.51 -44.86 3 8 1 103 251.27 5 ↓
Hi High (pH 8-9.5) -0.78 0.11 -7.67 2 8 0 101 250.262 5 ↓
Lo Low (pH 4.5-6) -0.78 0.98 -100.26 4 8 2 104 252.278 5 ↓

Analogs

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Popular Name: 4-chloro-N-[(1R)-1,4-dimethylpentyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine 4-chloro-N-[(1R)-1,4-dimethylpen…

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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) 3.23 13.09 -5.54 1 6 0 69 294.79 6 ↓
Lo Low (pH 4.5-6) 3.23 13.59 -31.46 2 6 1 70 295.798 6 ↓

Analogs

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Popular Name: 4-chloro-N-[(1S)-1,4-dimethylpentyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine 4-chloro-N-[(1S)-1,4-dimethylpen…

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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) 3.23 13.1 -5.53 1 6 0 69 294.79 6 ↓
Lo Low (pH 4.5-6) 3.23 13.59 -31.5 2 6 1 70 295.798 6 ↓

Analogs

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Popular Name: (3S)-3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methyl-amino]butanenitrile (3S)-3-[(4-chloro-6-imidazol-1-y…

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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) 1.12 12.59 -15.09 0 7 0 84 277.719 4 ↓
Lo Low (pH 4.5-6) 1.12 13.1 -39.06 1 7 1 85 278.727 4 ↓

Analogs

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Popular Name: (3R)-3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methyl-amino]butanenitrile (3R)-3-[(4-chloro-6-imidazol-1-y…

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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) 1.12 12.59 -15.11 0 7 0 84 277.719 4 ↓
Lo Low (pH 4.5-6) 1.12 13.1 -39.1 1 7 1 85 278.727 4 ↓

Analogs

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Popular Name: 4-chloro-6-imidazol-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine 4-chloro-6-imidazol-1-yl-N-(3,3,…

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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) 2.17 10.45 -8.09 1 6 0 69 292.652 5 ↓
Lo Low (pH 4.5-6) 2.17 10.96 -36.76 2 6 1 70 293.66 5 ↓

Analogs

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Popular Name: 4-chloro-N-(1,1-dimethylpropyl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine 4-chloro-N-(1,1-dimethylpropyl)-…

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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) 3.02 13.17 -5.8 0 6 0 60 280.763 4 ↓
Lo Low (pH 4.5-6) 3.02 13.68 -31.26 1 6 1 61 281.771 4 ↓

Analogs

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Popular Name: 4-chloro-6-imidazol-1-yl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine 4-chloro-6-imidazol-1-yl-N-(2-me…

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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) 1.50 10.54 -6.66 1 6 0 69 270.749 5 ↓
Lo Low (pH 4.5-6) 1.50 11.03 -33.51 2 6 1 70 271.757 5 ↓

Analogs

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Popular Name: 4-chloro-6-imidazol-1-yl-N-(3-methylsulfanylpropyl)-1,3,5-triazin-2-amine 4-chloro-6-imidazol-1-yl-N-(3-me…

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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) 1.77 11.32 -6.76 1 6 0 69 284.776 6 ↓
Lo Low (pH 4.5-6) 1.77 11.81 -33.23 2 6 1 70 285.784 6 ↓

Analogs

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Popular Name: 4-chloro-6-imidazol-1-yl-N-[(2S)-2-methyl-3-methylsulfanyl-propyl]-1,3,5-triazin-2-amine 4-chloro-6-imidazol-1-yl-N-[(2S)…

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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) 2.25 11.94 -6.3 1 6 0 69 298.803 6 ↓
Lo Low (pH 4.5-6) 2.25 12.45 -32.89 2 6 1 70 299.811 6 ↓

Analogs

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Popular Name: 4-chloro-6-imidazol-1-yl-N-[(2R)-2-methyl-3-methylsulfanyl-propyl]-1,3,5-triazin-2-amine 4-chloro-6-imidazol-1-yl-N-[(2R)…

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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) 2.25 11.94 -6.3 1 6 0 69 298.803 6 ↓
Lo Low (pH 4.5-6) 2.25 12.45 -32.89 2 6 1 70 299.811 6 ↓

Analogs

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Popular Name: 2,4-dichloro-6-(2-propylimidazol-1-yl)-1,3,5-triazine 2,4-dichloro-6-(2-propylimidazol…

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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) 2.54 9.56 -3.8 0 5 0 57 258.112 3 ↓
Mid Mid (pH 6-8) 2.54 10.05 -29.53 1 5 1 58 259.12 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 13077 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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