UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[4-[[3-(furan-2-carbonylamino)-4-methyl-benzoyl]amino]benzoyl]amino]acetic 2-[[4-[[3-(furan-2-carbonylamino…

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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) 0.88 5.68 -63.48 3 9 -1 141 420.401 7 ↓

Analogs

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Popular Name: 3-[[3-(furan-2-carbonylamino)-4-methyl-benzoyl]amino]-4-methyl-benzoic 3-[[3-(furan-2-carbonylamino)-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) 3.64 7.9 -82.77 2 7 -1 111 377.376 5 ↓

Analogs

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Popular Name: 3-[[3-(furan-2-carbonylamino)-4-methyl-benzoyl]amino]benzoic 3-[[3-(furan-2-carbonylamino)-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) 3.24 7.06 -82.58 2 7 -1 111 363.349 5 ↓

Analogs

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Popular Name: 4-[[3-(furan-2-carbonylamino)-4-methyl-benzoyl]amino]benzoic 4-[[3-(furan-2-carbonylamino)-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) 3.26 7.08 -69.14 2 7 -1 111 363.349 5 ↓

Analogs

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Popular Name: 5-chloro-4-[[3-(furan-2-carbonylamino)-4-methyl-benzoyl]amino]-2-methoxy-benzoic 5-chloro-4-[[3-(furan-2-carbonyl…

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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) 3.94 7.7 -65.5 2 8 -1 121 427.82 6 ↓

Analogs

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Popular Name: (E)-3-[4-[[3-(furan-2-carbonylamino)-4-methyl-benzoyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[3-(furan-2-carbonylam…

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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) 3.33 8.23 -66.72 2 7 -1 111 389.387 6 ↓

Analogs

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Popular Name: 4-chloro-3-[[3-(furan-2-carbonylamino)-4-methyl-benzoyl]amino]benzoic 4-chloro-3-[[3-(furan-2-carbonyl…

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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) 3.87 7.65 -71.36 2 7 -1 111 397.794 5 ↓

Analogs

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Popular Name: 5-[[3-(furan-2-carbonylamino)-4-methyl-benzoyl]amino]benzene-1,3-dicarboxylic 5-[[3-(furan-2-carbonylamino)-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) 3.10 6.7 -137.39 2 9 -2 152 406.35 6 ↓

Analogs

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Popular Name: N-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]furan-2-carboxamide N-[3-[(2,4-difluorophenyl)carbam…

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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) 3.21 6.69 -15.37 2 5 0 71 342.301 4 ↓

Analogs

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Popular Name: N-[5-[(4-bromo-3-methyl-phenyl)carbamoyl]-2-methyl-phenyl]-2-furamide N-[5-[(4-bromo-3-methyl-phenyl)c…

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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) 4.54 0.08 -18.6 2 5 0 71 413.271 4 ↓

Analogs

36996058
36996058
37107475
37107475
13630570
13630570

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Popular Name: 2-furancarboxamide, 5-bromo-N-[3-[[(3-methylphenyl)amino]carbonyl]phenyl]- 2-furancarboxamide, 5-bromo-N-[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) 4.31 7.92 -16.55 2 5 0 71 399.244 4 ↓

Analogs

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Popular Name: 2-furancarboxamide, N-[3-[[(3-chloro-4-fluorophenyl)amino]carbonyl]phenyl]- 2-furancarboxamide, N-[3-[[(3-ch…

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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) 3.72 7.09 -21.4 2 5 0 71 358.756 4 ↓

Analogs

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Popular Name: 2-furancarboxamide, 5-bromo-N-[3-[[(3-chloro-4-fluorophenyl)amino]carbonyl]phenyl]- 2-furancarboxamide, 5-bromo-N-[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) 4.65 7.82 -18.09 2 5 0 71 437.652 4 ↓

Analogs

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Popular Name: N-[3-[(4-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide N-[3-[(4-ethylphenyl)carbamoyl]p…

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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) 3.87 7.97 -19.6 2 5 0 71 334.375 5 ↓

Analogs

55639083
55639083

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Popular Name: N-[2-methyl-5-[[4-[(1S)-1-methylpropoxy]phenyl]carbamoyl]phenyl]furan-2-carboxamide N-[2-methyl-5-[[4-[(1S)-1-methyl…

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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) 4.65 9.11 -19.66 2 6 0 81 392.455 7 ↓

Analogs

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Popular Name: 2-furancarboxamide, 5-bromo-N-[3-[(phenylamino)carbonyl]phenyl]- 2-furancarboxamide, 5-bromo-N-[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) 3.88 7.25 -16.4 2 5 0 71 385.217 4 ↓

Parameters Provided:

ring.id = 78117
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 = 78117 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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