UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

68752118
68752118

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Popular Name: N-[(1S)-1-[(4-ethoxyphenyl)methyl-methyl-carbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1S)-1-[(4-ethoxyphenyl)methy…

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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) 2.68 7.21 -10.86 1 6 0 72 358.438 8 ↓

Analogs

23572344
23572344
24377000
24377000

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Popular Name: N-[(1R)-2-(benzyl-propyl-amino)-1-methyl-2-oxo-ethyl]furan-2-carboxamide N-[(1R)-2-(benzyl-propyl-amino)-…

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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) 2.35 7.55 -10.22 1 5 0 63 314.385 7 ↓

Analogs

23572344
23572344

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Popular Name: N-[(1S)-2-(benzyl-propyl-amino)-1-methyl-2-oxo-ethyl]furan-2-carboxamide N-[(1S)-2-(benzyl-propyl-amino)-…

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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) 2.35 7.36 -10.62 1 5 0 63 314.385 7 ↓

Analogs

4920968
4920968

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Popular Name: N-[2-(benzyl-propyl-amino)-2-oxo-ethyl]furan-2-carboxamide N-[2-(benzyl-propyl-amino)-2-oxo…

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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) 2.02 6.91 -10.38 1 5 0 63 300.358 7 ↓

Analogs

31069589
31069589

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Popular Name: N-[2-(benzyl-propyl-amino)-2-oxo-ethyl]-5-bromo-furan-2-carboxamide N-[2-(benzyl-propyl-amino)-2-oxo…

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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) 2.95 7.63 -8.26 1 5 0 63 379.254 7 ↓

Analogs

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Popular Name: methyl 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) 2.50 4.49 -12.03 2 7 0 98 395.209 7 ↓

Analogs

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Popular Name: N-[(1R)-1-[(2,4-dichlorophenyl)methyl-methyl-carbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1R)-1-[(2,4-dichlorophenyl)m…

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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) 3.53 7.79 -10.53 1 5 0 63 383.275 6 ↓

Analogs

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Popular Name: N-[(1S)-1-[(2,4-dichlorophenyl)methyl-methyl-carbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1S)-1-[(2,4-dichlorophenyl)m…

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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) 3.53 7.9 -7.51 1 5 0 63 383.275 6 ↓

Analogs

23543986
23543986
25426677
25426677
23543989
23543989

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Popular Name: N-[(1S)-2-[2-dimethylaminoethyl-[(2-fluorophenyl)methyl]amino]-1-methyl-2-oxo-ethyl]furan-2-carboxam N-[(1S)-2-[2-dimethylaminoethyl-…

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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) 1.61 7.6 -45.08 2 6 1 67 362.425 8 ↓
Hi High (pH 8-9.5) 1.61 5.29 -9 1 6 0 66 361.417 8 ↓

Analogs

25426677
25426677

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Popular Name: N-[(1R)-2-[2-dimethylaminoethyl-[(2-fluorophenyl)methyl]amino]-1-methyl-2-oxo-ethyl]furan-2-carboxam N-[(1R)-2-[2-dimethylaminoethyl-…

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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) 1.61 7.86 -42.32 2 6 1 67 362.425 8 ↓
Hi High (pH 8-9.5) 1.61 5.4 -8.8 1 6 0 66 361.417 8 ↓

Analogs

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Popular Name: N-[(1S)-1-[[3-(dimethylamino)phenyl]methylcarbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1S)-1-[[3-(dimethylamino)phe…

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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) 2.08 5.82 -9.33 2 6 0 75 343.427 7 ↓
Lo Low (pH 4.5-6) 2.08 6.51 -25.01 3 6 0 76 344.435 7 ↓

Analogs

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Popular Name: N-[(1R)-1-[[3-(dimethylamino)phenyl]methylcarbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1R)-1-[[3-(dimethylamino)phe…

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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) 2.08 5.89 -9.8 2 6 0 75 343.427 7 ↓
Lo Low (pH 4.5-6) 2.08 6.55 -23.34 3 6 0 76 344.435 7 ↓

Analogs

21710891
21710891
26049351
26049351
26049356
26049356
8122598
8122598

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Popular Name: N-[(1R)-1-[(4-methoxyphenyl)methylcarbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1R)-1-[(4-methoxyphenyl)meth…

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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) 2.06 4.63 -10.14 2 6 0 81 330.384 7 ↓

Analogs

21634125
21634125
21634133
21634133
21634470
21634470

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Popular Name: N-[(1R)-1-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]-3-methylsulfanyl-propyl]furan-2-carboxamide N-[(1R)-1-[[2-(dimethylsulfamoyl…

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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) 0.94 4.87 -18.31 2 8 0 109 439.559 10 ↓

Analogs

21634125
21634125
21634133
21634133
21634470
21634470

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Popular Name: N-[(1S)-1-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]-3-methylsulfanyl-propyl]furan-2-carboxamide N-[(1S)-1-[[2-(dimethylsulfamoyl…

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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) 0.94 4.24 -17.96 2 8 0 109 439.559 10 ↓

Analogs

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Popular Name: 5-bromo-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]furan-2-carboxamide 5-bromo-N-[2-[(3,4-dimethoxyphen…

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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) 1.97 3.04 -11.82 2 7 0 90 397.225 7 ↓

Analogs

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Popular Name: N-[(1R)-1-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1R)-1-[(3,4-dimethoxyphenyl)…

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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) 1.65 4.67 -12.88 2 7 0 90 360.41 8 ↓

Analogs

23555558
23555558
23555563
23555563

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Popular Name: N-[(1R)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1R)-1-[[(1S)-1-(2,4-dichloro…

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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) 3.85 7.33 -10.32 2 5 0 71 383.275 6 ↓

Analogs

23555558
23555558
23555563
23555563

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Popular Name: N-[(1R)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1R)-1-[[(1R)-1-(2,4-dichloro…

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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) 3.85 7.2 -9.85 2 5 0 71 383.275 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[[(1S)-1-(3-chlorophenyl)ethyl]carbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1R)-1-[[(1S)-1-(3-chlorophen…

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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 6.97 -10.01 2 5 0 71 348.83 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[[(1R)-1-(3-chlorophenyl)ethyl]carbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1R)-1-[[(1R)-1-(3-chlorophen…

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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 6.97 -9.73 2 5 0 71 348.83 6 ↓

Analogs

13137682
13137682

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Popular Name: N-[(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl]furan-2-carboxamide N-[(1R)-2-(benzylamino)-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) 1.22 3.96 -9.98 2 5 0 71 272.304 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[[(1S)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1R)-1-[[(1S)-1-(4-chlorophen…

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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 6.77 -9.41 2 5 0 71 348.83 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1R)-1-[[(1R)-1-(4-chlorophen…

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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 6.77 -9.09 2 5 0 71 348.83 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1R)-1-[[(1S)-1-(4-bromopheny…

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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) 3.37 6.87 -9.34 2 5 0 71 393.281 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1R)-1-[[(1R)-1-(4-bromopheny…

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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) 3.37 6.88 -9.03 2 5 0 71 393.281 6 ↓

Analogs

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Popular Name: N-[2-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[2-[[(1S)-2-hydroxy-1-phenyl-e…

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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) 0.94 0.79 -10.65 3 6 0 92 288.303 6 ↓

Analogs

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Popular Name: N-[2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[2-[[(1R)-2-hydroxy-1-phenyl-e…

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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) 0.94 0.79 -10.63 3 6 0 92 288.303 6 ↓

Analogs

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Popular Name: N-[(1R)-2-[(2-hydroxyphenyl)methyl-propyl-amino]-1-methyl-2-oxo-ethyl]furan-2-carboxamide N-[(1R)-2-[(2-hydroxyphenyl)meth…

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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) 2.29 5.97 -11.57 2 6 0 83 330.384 7 ↓

Analogs

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Popular Name: N-[(1S)-2-[(2-hydroxyphenyl)methyl-propyl-amino]-1-methyl-2-oxo-ethyl]furan-2-carboxamide N-[(1S)-2-[(2-hydroxyphenyl)meth…

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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) 2.29 6.11 -10.94 2 6 0 83 330.384 7 ↓

Analogs

41777583
41777583

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Popular Name: N-[(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl]-5-nitro-furan-2-carboxamide N-[(1S)-2-(benzylamino)-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) 1.30 4.67 -10.69 2 8 0 117 317.301 6 ↓

Analogs

41777581
41777581

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Popular Name: N-[(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl]-5-nitro-furan-2-carboxamide N-[(1R)-2-(benzylamino)-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) 1.30 4.67 -10.68 2 8 0 117 317.301 6 ↓

Parameters Provided:

ring.id = 51502
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 = 51502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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