UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

64787804
64787804
6690355
6690355

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Popular Name: N-[(1-isopentylbenzimidazol-2-yl)methyl]-N-methyl-furan-2-carboxamide N-[(1-isopentylbenzimidazol-2-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) 3.35 10.1 -9.62 0 5 0 51 325.412 6 ↓

Analogs

6690355
6690355

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Popular Name: N-[(1-pentylbenzimidazol-2-yl)methyl]furan-2-carboxamide N-[(1-pentylbenzimidazol-2-yl)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) 3.39 8.18 -10.95 1 5 0 60 311.385 7 ↓

Analogs

6690355
6690355
6690501
6690501
11667171
11667171

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Popular Name: N-[(1-isopentylbenzimidazol-2-yl)methyl]furan-2-carboxamide N-[(1-isopentylbenzimidazol-2-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) 3.10 7.9 -10.79 1 5 0 60 311.385 6 ↓

Analogs

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Popular Name: N-methyl-N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]furan-2-carboxamide N-methyl-N-[(1-prop-2-ynylbenzim…

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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) 1.86 8.85 -14.25 0 5 0 51 293.326 4 ↓

Analogs

12539538
12539538
6690655
6690655

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Popular Name: N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide N-[(1R)-1-(1-pentylbenzimidazol-…

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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) 3.95 8.92 -10.09 1 5 0 60 325.412 7 ↓

Analogs

6690655
6690655
12539536
12539536

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Popular Name: N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide N-[(1S)-1-(1-pentylbenzimidazol-…

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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) 3.95 8.92 -10.1 1 5 0 60 325.412 7 ↓

Analogs

12539633
12539633
11667274
11667274

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Popular Name: N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide N-[(1R)-1-[1-(2-methoxyethyl)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) 2.00 5.65 -10.18 1 6 0 69 313.357 6 ↓

Analogs

11667274
11667274

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Popular Name: N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide N-[(1S)-1-[1-(2-methoxyethyl)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) 2.00 5.65 -10.18 1 6 0 69 313.357 6 ↓

Analogs

40197117
40197117
40197118
40197118
6690355
6690355

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Popular Name: N-[(1-isobutylbenzimidazol-2-yl)methyl]furan-2-carboxamide N-[(1-isobutylbenzimidazol-2-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) 2.57 6.68 -11.01 1 5 0 60 297.358 5 ↓

Analogs

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Popular Name: N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,3-dimethyl-furan-2-carboxamide N-[(6-fluoro-1H-benzimidazol-2-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) 2.15 6.34 -14.84 1 5 0 62 287.294 3 ↓
Lo Low (pH 4.5-6) 2.15 7.11 -34.47 2 5 1 63 288.302 3 ↓

Analogs

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Popular Name: 5-methoxy-N-[(1S)-1-(5-methyl-1H-benzimidazol-2-yl)propyl]furan-2-carboxamide 5-methoxy-N-[(1S)-1-(5-methyl-1H…

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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) 3.05 6.13 -9.25 2 6 0 80 313.357 5 ↓
Lo Low (pH 4.5-6) 3.05 6.43 -31.6 3 6 1 81 314.365 5 ↓

Analogs

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Popular Name: 5-methoxy-N-[(1R)-1-(5-methyl-1H-benzimidazol-2-yl)propyl]furan-2-carboxamide 5-methoxy-N-[(1R)-1-(5-methyl-1H…

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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) 3.05 5.74 -8.07 2 6 0 80 313.357 5 ↓
Lo Low (pH 4.5-6) 3.05 6.43 -31.54 3 6 1 81 314.365 5 ↓

Analogs

45673730
45673730
45673732
45673732

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Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-5-nitro-furan-2-carboxamide N-[(1S)-1-(1H-benzimidazol-2-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) 3.30 6.99 -9.67 2 8 0 117 342.355 6 ↓

Analogs

45673730
45673730
45673732
45673732

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Popular Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-5-nitro-furan-2-carboxamide N-[(1R)-1-(1H-benzimidazol-2-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) 3.30 6.44 -10.09 2 8 0 117 342.355 6 ↓

Analogs

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Popular Name: N-[(1-methylbenzimidazol-2-yl)methyl]-5-nitro-furan-2-carboxamide N-[(1-methylbenzimidazol-2-yl)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) 1.53 5.67 -12.37 1 8 0 106 300.274 4 ↓
Mid Mid (pH 6-8) 1.53 6.09 -34.07 2 8 1 107 301.282 4 ↓

Parameters Provided:

ring.id = 106305
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 = 106305 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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