UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(2-furyl)-1-propa-1,2-dienyl-benzimidazole 2-(2-furyl)-1-propa-1,2-dienyl-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) 2.99 2.6 -11.6 0 3 0 31 222.247 2 ↓

Analogs

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Popular Name: 5-(1-methylbenzimidazol-2-yl)furan-2-sulfonamide 5-(1-methylbenzimidazol-2-yl)fur…

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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) 1.74 1.59 -16.59 2 6 0 91 277.305 2 ↓
Mid Mid (pH 6-8) 1.74 2.26 -43.73 1 6 -1 89 276.297 2 ↓
Lo Low (pH 4.5-6) 1.74 2 -37.15 3 6 1 92 278.313 2 ↓

Analogs

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Popular Name: 2-(3-methyl-2-furyl)-1H-benzimidazole 2-(3-methyl-2-furyl)-1H-benzimid…

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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) 3.06 6.04 -8.66 1 3 0 42 198.225 1 ↓

Analogs

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Popular Name: 2-(5-bromo-2-furyl)-1-methyl-benzimidazole-5-carboxylic 2-(5-bromo-2-furyl)-1-methyl-ben…

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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) 3.57 7.97 -51.13 0 5 -1 71 320.122 2 ↓
Mid Mid (pH 6-8) 3.57 8.38 -46.5 1 5 0 72 321.13 2 ↓

Analogs

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Popular Name: 1-methyl-2-(3-methyl-2-furyl)benzimidazole-5-carboxylic 1-methyl-2-(3-methyl-2-furyl)ben…

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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 8.26 -55.25 0 5 -1 71 255.253 2 ↓
Mid Mid (pH 6-8) 3.02 8.26 -45.82 1 5 0 72 256.261 2 ↓

Analogs

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Popular Name: 1-methyl-2-(5-methyl-2-furyl)benzimidazole-5-carboxylic 1-methyl-2-(5-methyl-2-furyl)ben…

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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) 2.86 8.06 -54.83 0 5 -1 71 255.253 2 ↓
Mid Mid (pH 6-8) 2.86 8.49 -45.87 1 5 0 72 256.261 2 ↓

Analogs

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Popular Name: 2-(2-furyl)-1-methyl-benzimidazole-5-carboxylic 2-(2-furyl)-1-methyl-benzimidazo…

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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) 2.64 7.24 -55.53 0 5 -1 71 241.226 2 ↓
Mid Mid (pH 6-8) 2.64 7.65 -47.21 1 5 0 72 242.234 2 ↓

Analogs

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Popular Name: (2R)-N-[2-(2-furyl)-1H-benzimidazol-5-yl]-2-(methanesulfonamido)propanamide (2R)-N-[2-(2-furyl)-1H-benzimida…

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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) 1.33 0.82 -22.71 3 8 0 117 348.384 5 ↓
Lo Low (pH 4.5-6) 1.33 1.25 -41.23 4 8 1 118 349.392 5 ↓

Analogs

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Popular Name: (2R)-N-[2-(2-furyl)-1H-benzimidazol-5-yl]-2-methyl-3-methylsulfanyl-propanamide (2R)-N-[2-(2-furyl)-1H-benzimida…

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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) 3.11 6.56 -11.03 2 5 0 71 315.398 5 ↓
Lo Low (pH 4.5-6) 3.11 6.99 -30.19 3 5 1 72 316.406 5 ↓

Analogs

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Popular Name: (2S)-N-[2-(2-furyl)-1H-benzimidazol-5-yl]-2-methyl-3-methylsulfanyl-propanamide (2S)-N-[2-(2-furyl)-1H-benzimida…

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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) 3.11 6.56 -11.04 2 5 0 71 315.398 5 ↓
Lo Low (pH 4.5-6) 3.11 6.99 -30.3 3 5 1 72 316.406 5 ↓

Analogs

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Popular Name: [5-(6,7-dimethyl-1H-benzimidazol-2-yl)-2-furyl]methanol [5-(6,7-dimethyl-1H-benzimidazol…

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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) 3.06 3.72 -10.85 2 4 0 62 242.278 2 ↓
Lo Low (pH 4.5-6) 3.06 4.16 -26.41 3 4 1 63 243.286 2 ↓

Analogs

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Popular Name: (2S)-N-[2-(2-furyl)-1H-benzimidazol-5-yl]-2-ureido-propanamide (2S)-N-[2-(2-furyl)-1H-benzimida…

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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) 1.23 0.5 -16.08 5 8 0 126 313.317 4 ↓
Lo Low (pH 4.5-6) 1.23 0.94 -35.21 6 8 1 127 314.325 4 ↓
Lo Low (pH 4.5-6) 1.23 0.5 -14.79 5 8 0 126 313.317 4 ↓

Analogs

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Popular Name: (2R)-N-[2-(2-furyl)-1H-benzimidazol-5-yl]-2-ureido-propanamide (2R)-N-[2-(2-furyl)-1H-benzimida…

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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) 1.23 0.5 -15.99 5 8 0 126 313.317 4 ↓
Lo Low (pH 4.5-6) 1.23 0.94 -35 6 8 1 127 314.325 4 ↓
Lo Low (pH 4.5-6) 1.23 0.49 -15.09 5 8 0 126 313.317 4 ↓

Analogs

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Popular Name: N-[2-(2-furyl)-1H-benzimidazol-5-yl]-2-propoxy-acetamide N-[2-(2-furyl)-1H-benzimidazol-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) 2.70 5.78 -16.5 2 6 0 80 299.33 6 ↓
Lo Low (pH 4.5-6) 2.70 6.23 -33.21 3 6 1 81 300.338 6 ↓

Parameters Provided:

ring.id = 28688
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 = 28688 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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