UCSF
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Analogs

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Popular Name: 2-cyclopropyl-1H-imidazole-4-carboxylic acid hydrochloride 2-cyclopropyl-1H-imidazole-4-car…

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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) 0.19 4.02 -56.45 1 4 -1 69 151.145 2 ↓
Mid Mid (pH 6-8) 0.19 4.41 -35.52 2 4 0 70 152.153 2 ↓

Analogs

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Popular Name: methyl 2-cyclopropyl-1H-imidazole-4-carboxylate methyl 2-cyclopropyl-1H-imidazol…

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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) 0.45 4.08 -10.03 1 4 0 55 166.18 3 ↓
Lo Low (pH 4.5-6) 0.45 4.45 -31.22 2 4 1 56 167.188 3 ↓

Analogs

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Popular Name: 2-cyclopropyl-4-propyl-imidazole-1,5-diamine 2-cyclopropyl-4-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) 0.74 4.6 -24.09 5 4 1 71 181.263 3 ↓
Hi High (pH 8-9.5) 0.74 4.25 -7.05 4 4 0 70 180.255 3 ↓

Analogs

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Popular Name: 2-cyclopropyl-4-isobutyl-imidazole-1,5-diamine 2-cyclopropyl-4-isobutyl-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) 0.98 5.2 -24.18 5 4 1 71 195.29 3 ↓
Hi High (pH 8-9.5) 0.98 4.89 -6.42 4 4 0 70 194.282 3 ↓

Analogs

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Popular Name: 2-cyclopropyl-4-methyl-imidazole-1,5-diamine 2-cyclopropyl-4-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) -0.34 3.11 -23.98 5 4 1 71 153.209 1 ↓
Hi High (pH 8-9.5) -0.34 2.75 -7.46 4 4 0 70 152.201 1 ↓

Analogs

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Popular Name: 2-cyclopropyl-4-ethyl-imidazole-1,5-diamine 2-cyclopropyl-4-ethyl-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) 0.23 3.84 -23.82 5 4 1 71 167.236 2 ↓
Hi High (pH 8-9.5) 0.23 3.48 -7.15 4 4 0 70 166.228 2 ↓

Analogs

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Popular Name: 4-butyl-2-cyclopropyl-imidazole-1,5-diamine 4-butyl-2-cyclopropyl-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) 1.29 5.39 -24.41 5 4 1 71 195.29 4 ↓
Hi High (pH 8-9.5) 1.29 5.04 -7 4 4 0 70 194.282 4 ↓

Analogs

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Popular Name: 2-cyclopropyl-4-isopropyl-imidazole-1,5-diamine 2-cyclopropyl-4-isopropyl-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) 0.72 4.43 -23.56 5 4 1 71 181.263 2 ↓
Hi High (pH 8-9.5) 0.72 4.07 -6.76 4 4 0 70 180.255 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-4-(2-methylsulfanylethyl)imidazole-1,5-diamine 2-cyclopropyl-4-(2-methylsulfany…

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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) 0.38 5.06 -26.07 5 4 1 71 213.33 4 ↓
Hi High (pH 8-9.5) 0.38 4.71 -7.31 4 4 0 70 212.322 4 ↓

Analogs

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Popular Name: 2-cyclopropyl-4-(1-ethylpropyl)imidazole-1,5-diamine 2-cyclopropyl-4-(1-ethylpropyl)i…

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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) 1.40 5.68 -23.62 5 4 1 71 209.317 4 ↓
Hi High (pH 8-9.5) 1.40 5.32 -6.21 4 4 0 70 208.309 4 ↓

Analogs

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Popular Name: 2-cyclopropyl-4-hexyl-imidazole-1,5-diamine 2-cyclopropyl-4-hexyl-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) 2.31 6.95 -24.63 5 4 1 71 223.344 6 ↓
Hi High (pH 8-9.5) 2.31 6.6 -6.88 4 4 0 70 222.336 6 ↓

Analogs

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Popular Name: 2-cyclopropyl-4-[(1R)-1-methylpropyl]imidazole-1,5-diamine 2-cyclopropyl-4-[(1R)-1-methylpr…

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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) 1.06 5.07 -23.74 5 4 1 71 195.29 3 ↓
Hi High (pH 8-9.5) 1.06 4.73 -6.65 4 4 0 70 194.282 3 ↓

Analogs

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Popular Name: 2-cyclopropyl-4-[(1S)-1-methylpropyl]imidazole-1,5-diamine 2-cyclopropyl-4-[(1S)-1-methylpr…

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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) 1.06 5.08 -23.73 5 4 1 71 195.29 3 ↓
Hi High (pH 8-9.5) 1.06 4.71 -6.64 4 4 0 70 194.282 3 ↓

Analogs

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Popular Name: 2-cyclopropyl-4-[(1R)-1-methylbutyl]imidazole-1,5-diamine 2-cyclopropyl-4-[(1R)-1-methylbu…

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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) 1.62 5.83 -24.04 5 4 1 71 209.317 4 ↓
Hi High (pH 8-9.5) 1.62 5.5 -6.59 4 4 0 70 208.309 4 ↓

Analogs

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Popular Name: 2-cyclopropyl-4-[(1S)-1-methylbutyl]imidazole-1,5-diamine 2-cyclopropyl-4-[(1S)-1-methylbu…

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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) 1.62 5.83 -23.97 5 4 1 71 209.317 4 ↓
Hi High (pH 8-9.5) 1.62 5.5 -6.6 4 4 0 70 208.309 4 ↓

Analogs

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Popular Name: 4-tert-butyl-2-cyclopropyl-imidazole-1,5-diamine 4-tert-butyl-2-cyclopropyl-imida…

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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) 1.38 5.1 -23.14 5 4 1 71 195.29 2 ↓
Hi High (pH 8-9.5) 1.38 4.76 -6.8 4 4 0 70 194.282 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-4-pentyl-imidazole-1,5-diamine 2-cyclopropyl-4-pentyl-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) 1.80 6.17 -24.55 5 4 1 71 209.317 5 ↓
Hi High (pH 8-9.5) 1.80 5.82 -6.93 4 4 0 70 208.309 5 ↓

Analogs

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Popular Name: (2-cyclopropyl-1H-imidazol-4-yl)methanamine (2-cyclopropyl-1H-imidazol-4-yl)…

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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) -0.20 1.5 -41.03 4 3 1 56 138.194 2 ↓
Hi High (pH 8-9.5) -0.20 1.06 -6.01 3 3 0 55 137.186 2 ↓
Lo Low (pH 4.5-6) -0.20 1.89 -102.04 5 3 2 58 139.202 2 ↓

Analogs

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Popular Name: 1-(2-cyclopropyl-1H-imidazol-4-yl)-N-methyl-methanamine 1-(2-cyclopropyl-1H-imidazol-4-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) 0.18 3.37 -36.23 3 3 1 45 152.221 3 ↓
Hi High (pH 8-9.5) 0.18 1.92 -6.06 2 3 0 41 151.213 3 ↓
Lo Low (pH 4.5-6) 0.18 3.76 -96.71 4 3 2 47 153.229 3 ↓

Analogs

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Popular Name: N-[(2-cyclopropyl-1H-imidazol-4-yl)methyl]ethanamine N-[(2-cyclopropyl-1H-imidazol-4-…

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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) 0.55 4.23 -35.36 3 3 1 45 166.248 4 ↓
Hi High (pH 8-9.5) 0.55 2.85 -5.88 2 3 0 41 165.24 4 ↓
Lo Low (pH 4.5-6) 0.55 4.62 -97.27 4 3 2 47 167.256 4 ↓

Analogs

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Popular Name: N-[(2-cyclopropyl-1H-imidazol-4-yl)methyl]propan-1-amine N-[(2-cyclopropyl-1H-imidazol-4-…

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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) 1.06 4.98 -36.06 3 3 1 45 180.275 5 ↓
Hi High (pH 8-9.5) 1.06 3.61 -5.74 2 3 0 41 179.267 5 ↓
Lo Low (pH 4.5-6) 1.06 5.37 -99.24 4 3 2 47 181.283 5 ↓

Analogs

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Popular Name: N-[(2-cyclopropyl-1H-imidazol-4-yl)methyl]propan-2-amine N-[(2-cyclopropyl-1H-imidazol-4-…

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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) 0.85 4.74 -33.63 3 3 1 45 180.275 4 ↓
Hi High (pH 8-9.5) 0.85 3.53 -5.64 2 3 0 41 179.267 4 ↓
Lo Low (pH 4.5-6) 0.85 5.14 -96.39 4 3 2 47 181.283 4 ↓

Analogs

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Popular Name: N-[(2-cyclopropyl-1H-imidazol-4-yl)methyl]-2-methyl-propan-2-amine N-[(2-cyclopropyl-1H-imidazol-4-…

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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) 1.36 5.18 -32.4 3 3 1 45 194.302 4 ↓
Hi High (pH 8-9.5) 1.36 3.94 -5.54 2 3 0 41 193.294 4 ↓
Lo Low (pH 4.5-6) 1.36 5.57 -95.08 4 3 2 47 195.31 4 ↓

Analogs

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Popular Name: N-[(2-cyclopropyl-1H-imidazol-4-yl)methyl]-2-methyl-propan-1-amine N-[(2-cyclopropyl-1H-imidazol-4-…

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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) 1.30 5.67 -35.86 3 3 1 45 194.302 5 ↓
Hi High (pH 8-9.5) 1.30 4.44 -5.45 2 3 0 41 193.294 5 ↓
Lo Low (pH 4.5-6) 1.30 6.07 -100.25 4 3 2 47 195.31 5 ↓

Analogs

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Popular Name: N-[(2-cyclopropyl-1H-imidazol-4-yl)methyl]-2-methoxy-ethanamine N-[(2-cyclopropyl-1H-imidazol-4-…

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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) 0.16 3.36 -36.69 3 4 1 55 196.274 6 ↓
Hi High (pH 8-9.5) 0.16 2 -7.64 2 4 0 50 195.266 6 ↓
Lo Low (pH 4.5-6) 0.16 3.76 -97.79 4 4 2 56 197.282 6 ↓

Parameters Provided:

ring.id = 17834
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 = 17834 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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