UCSF
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Analogs

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Popular Name: 4-cyclohexylimidazole-1,5-diamine 4-cyclohexylimidazole-1,5-diamine

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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) 1.11 5.08 -29.13 5 4 1 71 181.263 1 ↓
Mid Mid (pH 6-8) 1.11 4.62 -6.36 4 4 0 70 180.255 1 ↓

Analogs

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Popular Name: 4-cyclohexyl-2-methyl-imidazole-1,5-diamine 4-cyclohexyl-2-methyl-imidazole-…

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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) 1.20 4.89 -25.74 5 4 1 71 195.29 1 ↓
Hi High (pH 8-9.5) 1.20 4.47 -6.7 4 4 0 70 194.282 1 ↓

Analogs

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Popular Name: 4-cyclohexyl-2-ethyl-imidazole-1,5-diamine 4-cyclohexyl-2-ethyl-imidazole-1…

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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 5.49 -24.97 5 4 1 71 209.317 2 ↓
Hi High (pH 8-9.5) 1.77 5.07 -6.53 4 4 0 70 208.309 2 ↓

Analogs

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Popular Name: 4-cyclohexyl-2-propyl-imidazole-1,5-diamine 4-cyclohexyl-2-propyl-imidazole-…

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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) 2.28 6.27 -25.2 5 4 1 71 223.344 3 ↓
Hi High (pH 8-9.5) 2.28 5.85 -6.42 4 4 0 70 222.336 3 ↓

Analogs

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Popular Name: 2-tert-butyl-4-cyclohexyl-imidazole-1,5-diamine 2-tert-butyl-4-cyclohexyl-imidaz…

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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) 2.92 6.55 -23.62 5 4 1 71 237.371 2 ↓
Hi High (pH 8-9.5) 2.92 6.15 -6.39 4 4 0 70 236.363 2 ↓

Analogs

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Popular Name: 4-cyclohexyl-2-isopropyl-imidazole-1,5-diamine 4-cyclohexyl-2-isopropyl-imidazo…

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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) 2.26 6.09 -24.03 5 4 1 71 223.344 2 ↓
Hi High (pH 8-9.5) 2.26 5.54 -6.23 4 4 0 70 222.336 2 ↓

Analogs

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Popular Name: 4-(1H-imidazol-5-yl)cyclohexanamine 4-(1H-imidazol-5-yl)cyclohexanamine

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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) -0.06 3.75 -88.14 5 3 2 58 167.256 1 ↓

Parameters Provided:

ring.id = 26830
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 = 26830 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=26830&filter.purchasability=annotated

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