UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 2.92 4.8 -13.16 1 6 0 82 359.419 9 ↓

Analogs

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Popular Name: 4-[3-(cyclopentoxy)propylsulfamoyl]-N,N-diethyl-benzamide 4-[3-(cyclopentoxy)propylsulfamo…

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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) 2.38 6.18 -13.22 1 6 0 76 382.526 10 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-4-(2-ethoxyethoxy)benzenesulfonamide N-[3-(cyclopentoxy)propyl]-4-(2-…

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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) 2.98 4.87 -11.5 1 6 0 74 371.499 12 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-2-methyl-4-nitro-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-2-met…

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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) 3.00 6.02 -10.62 1 7 0 101 342.417 8 ↓

Analogs

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Popular Name: 3-[3-(cyclopentoxy)propylsulfamoyl]-N,N-dimethyl-benzamide 3-[3-(cyclopentoxy)propylsulfamo…

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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) 1.60 4.29 -15.4 1 6 0 76 354.472 8 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-2-methyl-5-methylsulfonyl-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-2-met…

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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) 1.91 2.86 -16.73 1 6 0 90 375.512 8 ↓

Analogs

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Popular Name: N-[[3-[3-(cyclopentoxy)propylsulfamoyl]-4-methoxy-phenyl]methyl]acetamide N-[[3-[3-(cyclopentoxy)propylsul…

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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) 1.56 3.24 -16.67 2 7 0 94 384.498 10 ↓

Analogs

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Popular Name: N-[2-[4-[3-(cyclopentoxy)propylsulfamoyl]phenyl]ethyl]acetamide N-[2-[4-[3-(cyclopentoxy)propyls…

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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) 1.99 4.2 -16.56 2 6 0 85 368.499 10 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-4-methoxy-2-methyl-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-4-met…

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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) 3.09 4.61 -9.95 1 5 0 65 327.446 8 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-4-ethylsulfonyl-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-4-eth…

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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) 1.91 2.84 -17.34 1 6 0 90 375.512 9 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-4-fluoro-3-methylsulfonyl-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-4-flu…

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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 1.99 -16.63 1 6 0 90 379.475 8 ↓

Analogs

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Popular Name: N1-[3-(cyclopentoxy)propyl]-2-fluoro-benzene-1,4-disulfonamide N1-[3-(cyclopentoxy)propyl]-2-fl…

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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) 1.45 -0.88 -14.91 3 7 0 116 380.463 8 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-4-(2-methoxyethoxy)-3-methyl-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-4-(2-…

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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) 2.98 4.64 -12.11 1 6 0 74 371.499 11 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-2-methoxy-4-nitro-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-2-met…

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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) 2.60 4.93 -11.41 1 8 0 110 358.416 9 ↓

Analogs

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Popular Name: N-[4-[3-(cyclopentoxy)propylsulfamoyl]phenyl]-2,2,2-trifluoro-acetamide N-[4-[3-(cyclopentoxy)propylsulf…

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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) 2.77 3.71 -13.37 2 6 0 85 394.415 9 ↓
Hi High (pH 8-9.5) 2.95 2.03 -38.98 1 6 -1 91 393.407 9 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-3-fluoro-4-methyl-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-3-flu…

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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) 3.20 5.12 -9.49 1 4 0 55 315.41 7 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-2-fluoro-5-methyl-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-2-flu…

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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) 3.20 4.83 -9.83 1 4 0 55 315.41 7 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-5-fluoro-2-methyl-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-5-flu…

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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) 3.20 5.38 -9.96 1 4 0 55 315.41 7 ↓

Analogs

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Popular Name: 2-bromo-N-[3-(cyclopentoxy)propyl]-4-fluoro-benzenesulfonamide 2-bromo-N-[3-(cyclopentoxy)propy…

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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) 3.56 5.22 -7.98 1 4 0 55 380.279 7 ↓

Analogs

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Popular Name: N-[4-[3-(cyclopentoxy)propylsulfamoyl]-3,5-dimethyl-phenyl]acetamide N-[4-[3-(cyclopentoxy)propylsulf…

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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) 2.63 4.77 -15.3 2 6 0 85 368.499 8 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-2-methyl-6-nitro-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-2-met…

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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) 2.97 6.84 -14.62 1 7 0 101 342.417 8 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-4-methylsulfonyl-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-4-met…

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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 1.96 -18.09 1 6 0 90 361.485 8 ↓

Analogs

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Popular Name: 4-chloro-3-cyano-N-[3-(cyclopentoxy)propyl]benzenesulfonamide 4-chloro-3-cyano-N-[3-(cyclopent…

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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 5.21 -11.38 1 5 0 79 342.848 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) 2.58 5.33 -15.19 1 7 0 91 371.455 11 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-2-methylsulfonyl-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-2-met…

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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) 1.92 3.22 -16.64 1 6 0 90 361.485 8 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-4-fluoro-2-methyl-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-4-flu…

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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) 3.20 5.38 -8.68 1 4 0 55 315.41 7 ↓

Analogs

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Popular Name: 2-chloro-N-[3-(cyclopentoxy)propyl]-4-fluoro-benzenesulfonamide 2-chloro-N-[3-(cyclopentoxy)prop…

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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) 3.43 4.53 -7.88 1 4 0 55 335.828 7 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-3-methylsulfonyl-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-3-met…

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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) 1.51 1.96 -19.18 1 6 0 90 361.485 8 ↓

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) 3.21 5.96 -13.84 1 6 0 82 355.456 9 ↓

Analogs

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Popular Name: 4-chloro-N-[3-(cyclopentoxy)propyl]-2-nitro-benzenesulfonamide 4-chloro-N-[3-(cyclopentoxy)prop…

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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) 3.23 6.44 -11.28 1 7 0 101 362.835 8 ↓
Hi High (pH 8-9.5) 3.23 6.2 -44.42 0 7 -1 103 361.827 8 ↓

Analogs

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Popular Name: 2-bromo-N-[3-(cyclopentoxy)propyl]-4-methyl-benzenesulfonamide 2-bromo-N-[3-(cyclopentoxy)propy…

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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 5.82 -9.11 1 4 0 55 376.316 7 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-2-methyl-3-nitro-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-2-met…

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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) 2.97 5.87 -11.72 1 7 0 101 342.417 8 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-2-fluoro-4,5-dimethoxy-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-2-flu…

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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) 2.40 3.36 -10.9 1 6 0 74 361.435 9 ↓

Analogs

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Popular Name: 2-chloro-N-[3-(cyclopentoxy)propyl]-5-methylsulfonyl-benzenesulfonamide 2-chloro-N-[3-(cyclopentoxy)prop…

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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) 2.14 2.01 -16.4 1 6 0 90 395.93 8 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-4-(2-methoxyethoxy)benzenesulfonamide N-[3-(cyclopentoxy)propyl]-4-(2-…

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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) 2.61 3.91 -11.56 1 6 0 74 357.472 11 ↓

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) 3.44 5.11 -12.54 1 6 0 82 375.874 9 ↓

Analogs

6345586
6345586

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Popular Name: N-[3-(cyclopentoxy)propyl]-3,4-diethoxy-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-3,4-d…

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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 5.46 -11.55 1 6 0 74 371.499 11 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-2-methoxy-5-nitro-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-2-met…

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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) 2.60 4.94 -15.38 1 8 0 110 358.416 9 ↓

Analogs

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Popular Name: N1-[3-(cyclopentoxy)propyl]benzene-1,4-disulfonamide N1-[3-(cyclopentoxy)propyl]benze…

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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) 1.35 -0.63 -15.54 3 7 0 116 362.473 8 ↓

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) 2.83 5.06 -11.37 1 6 0 82 341.429 9 ↓

Analogs

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Popular Name: 4-[3-(cyclopentoxy)propylsulfamoyl]-N-methyl-benzamide 4-[3-(cyclopentoxy)propylsulfamo…

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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) 1.85 2.69 -14.55 2 6 0 85 340.445 8 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-3,5-difluoro-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-3,5-d…

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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) 2.92 4.54 -8.31 1 4 0 55 319.373 7 ↓

Analogs

23403242
23403242

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Popular Name: N-[3-(cyclopentoxy)propyl]-2-(trifluoromethoxy)benzenesulfonamide N-[3-(cyclopentoxy)propyl]-2-(tr…

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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) 3.58 4.7 -9.41 1 5 0 65 367.389 9 ↓

Analogs

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Popular Name: N1-[3-(cyclopentoxy)propyl]benzene-1,3-disulfonamide N1-[3-(cyclopentoxy)propyl]benze…

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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 -0.63 -18.02 3 7 0 116 362.473 8 ↓

Analogs

24361762
24361762

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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) 2.81 5.04 -12.86 1 6 0 82 341.429 9 ↓

Analogs

25365858
25365858
25366149
25366149
25370739
25370739
25370808
25370808

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Popular Name: 2-chloro-N-[3-(cyclopentoxy)propyl]-4-methyl-benzenesulfonamide 2-chloro-N-[3-(cyclopentoxy)prop…

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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) 3.71 5.13 -9.09 1 4 0 55 331.865 7 ↓

Analogs

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Popular Name: N-[3-(cyclopentoxy)propyl]-2,3,4-trifluoro-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-2,3,4…

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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) 3.01 4.28 -9.51 1 4 0 55 337.363 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(cyclopentoxy)propyl]-2,6-difluoro-benzenesulfonamide N-[3-(cyclopentoxy)propyl]-2,6-d…

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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) 2.89 4.67 -12.14 1 4 0 55 319.373 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[3-(cyclopentoxy)propyl]benzenesulfonamide 2-chloro-N-[3-(cyclopentoxy)prop…

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Activity (Go SEA)

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) 3.29 4.47 -9.46 1 4 0 55 317.838 7 ↓

Analogs

12858091
12858091

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Popular Name: 3-bromo-N-[3-(cyclopentoxy)propyl]benzenesulfonamide 3-bromo-N-[3-(cyclopentoxy)propy…

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Activity (Go SEA)

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) 3.45 5.03 -9.02 1 4 0 55 362.289 7 ↓

Parameters Provided:

ring.id = 174368
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 = 174368 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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