UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(5-Cyclopropylsulfamoyl-2-methoxy-phenyl)-acetamide N-(5-Cyclopropylsulfamoyl-2-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) 0.57 -5.62 -16.36 2 6 0 84 284.337 5 ↓

Analogs

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Popular Name: 3-chloro-N-cyclopropyl-4-ethoxy-benzenesulfonamide 3-chloro-N-cyclopropyl-4-ethoxy-…

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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) 2.41 -4.72 -9.7 1 4 0 55 275.757 5 ↓

Analogs

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Popular Name: 2-amino-N-cyclopropyl-5-methylsulfonyl-N-propyl-benzenesulfonamide 2-amino-N-cyclopropyl-5-methylsu…

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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) 0.78 1.31 -16.33 2 6 0 98 332.447 6 ↓

Analogs

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Popular Name: 2-amino-N-cyclopropyl-6-fluoro-4-nitro-N-propyl-benzenesulfonamide 2-amino-N-cyclopropyl-6-fluoro-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) 1.96 4.75 -8.97 2 7 0 109 317.342 6 ↓

Analogs

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Popular Name: 3-[4-(cyclopropylsulfamoyl)anilino]-N-methyl-propanamide 3-[4-(cyclopropylsulfamoyl)anili…

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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) 0.61 0.23 -16.2 3 6 0 87 297.38 7 ↓

Analogs

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Popular Name: 3-[2-(cyclopropylsulfamoyl)anilino]-N-methyl-propanamide 3-[2-(cyclopropylsulfamoyl)anili…

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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) 0.56 0.68 -14.09 3 6 0 87 297.38 7 ↓

Analogs

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Popular Name: (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]prop-2-enamide (E)-3-[4-(cyclopropylsulfamoyl)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) 0.97 1.65 -15.66 3 7 0 104 361.423 8 ↓

Analogs

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Popular Name: 5-(cyclopropylsulfamoyl)-2-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide 5-(cyclopropylsulfamoyl)-2-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) 0.71 1.14 -13.93 3 7 0 104 349.412 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.91 3.67 -10.11 2 6 0 90 298.364 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.93 3.66 -10.19 2 6 0 90 298.364 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.29 4.16 -9.61 2 6 0 90 298.364 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.43 4.23 -8.69 2 6 0 90 316.354 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.31 3.99 -10.11 2 6 0 90 312.391 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.54 3.89 -14.73 2 6 0 90 332.809 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.54 3.9 -15.14 2 6 0 90 332.809 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.94 4.25 -8.95 2 6 0 90 332.809 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.05 0.93 -10.72 3 7 0 110 314.363 7 ↓
Hi High (pH 8-9.5) 1.05 1.69 -48.82 2 7 -1 113 313.355 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.43 3.75 -9.29 2 6 0 90 316.354 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.71 4.45 -10.3 2 6 0 90 312.391 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.69 4.07 -10.23 2 6 0 90 312.391 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.94 4.69 -8.49 2 6 0 90 332.809 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.02 3.41 -10.81 2 6 0 90 316.354 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.31 4.33 -10.26 2 6 0 90 312.391 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.67 4 -14.94 2 6 0 90 377.26 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.71 4.82 -9.69 2 6 0 90 312.391 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.31 3.97 -10.29 2 6 0 90 312.391 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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 4.78 -8.44 2 6 0 90 377.26 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.69 4.81 -9.26 2 6 0 90 312.391 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.43 4.22 -10.02 2 6 0 90 316.354 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.94 4.68 -9.43 2 6 0 90 332.809 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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 4.78 -9.31 2 6 0 90 377.26 7 ↓

Analogs

35632870
35632870
35632871
35632871
35632872
35632872

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Popular Name: N-cyclopropyl-3-[(1S)-1-(propylamino)ethyl]benzenesulfonamide N-cyclopropyl-3-[(1S)-1-(propyla…

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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) 2.34 4.47 -49.43 3 4 1 63 283.417 7 ↓

Analogs

35632871
35632871
35632872
35632872
35632869
35632869

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Popular Name: N-cyclopropyl-3-[(1R)-1-(propylamino)ethyl]benzenesulfonamide N-cyclopropyl-3-[(1R)-1-(propyla…

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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) 2.34 4.47 -48.01 3 4 1 63 283.417 7 ↓

Analogs

35632872
35632872
35632870
35632870
35632869
35632869

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Popular Name: N-cyclopropyl-3-[(1S)-1-(ethylamino)ethyl]benzenesulfonamide N-cyclopropyl-3-[(1S)-1-(ethylam…

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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) 1.84 3.71 -48.57 3 4 1 63 269.39 6 ↓

Analogs

35632871
35632871
35632870
35632870
35632869
35632869

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Popular Name: N-cyclopropyl-3-[(1R)-1-(ethylamino)ethyl]benzenesulfonamide N-cyclopropyl-3-[(1R)-1-(ethylam…

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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) 1.84 3.71 -47.1 3 4 1 63 269.39 6 ↓

Analogs

35632874
35632874

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Popular Name: N-cyclopropyl-3-[(1S)-1-(methylamino)ethyl]benzenesulfonamide N-cyclopropyl-3-[(1S)-1-(methyla…

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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) 1.47 2.87 -49.97 3 4 1 63 255.363 5 ↓
Hi High (pH 8-9.5) 1.47 1.69 -7.93 2 4 0 58 254.355 5 ↓

Analogs

35632873
35632873

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Popular Name: N-cyclopropyl-3-[(1R)-1-(methylamino)ethyl]benzenesulfonamide N-cyclopropyl-3-[(1R)-1-(methyla…

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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) 1.47 2.87 -48.46 3 4 1 63 255.363 5 ↓
Hi High (pH 8-9.5) 1.47 1.69 -8.79 2 4 0 58 254.355 5 ↓

Analogs

35632876
35632876
35632877
35632877
35632878
35632878

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Popular Name: N-cyclopropyl-4-[(1S)-1-(propylamino)ethyl]benzenesulfonamide N-cyclopropyl-4-[(1S)-1-(propyla…

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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) 2.37 4.48 -49.28 3 4 1 63 283.417 7 ↓

Analogs

35632877
35632877
35632878
35632878
35632875
35632875

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Popular Name: N-cyclopropyl-4-[(1R)-1-(propylamino)ethyl]benzenesulfonamide N-cyclopropyl-4-[(1R)-1-(propyla…

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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) 2.37 4.48 -48.29 3 4 1 63 283.417 7 ↓

Analogs

35632878
35632878
35632876
35632876
35632875
35632875

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Popular Name: N-cyclopropyl-4-[(1S)-1-(ethylamino)ethyl]benzenesulfonamide N-cyclopropyl-4-[(1S)-1-(ethylam…

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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) 1.87 3.72 -48.39 3 4 1 63 269.39 6 ↓

Analogs

35632877
35632877
35632876
35632876
35632875
35632875

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Popular Name: N-cyclopropyl-4-[(1R)-1-(ethylamino)ethyl]benzenesulfonamide N-cyclopropyl-4-[(1R)-1-(ethylam…

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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) 1.87 3.72 -47.46 3 4 1 63 269.39 6 ↓

Analogs

35632880
35632880

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Popular Name: N-cyclopropyl-4-[(1S)-1-(methylamino)ethyl]benzenesulfonamide N-cyclopropyl-4-[(1S)-1-(methyla…

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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) 1.49 2.88 -49.62 3 4 1 63 255.363 5 ↓
Hi High (pH 8-9.5) 1.49 1.7 -7.96 2 4 0 58 254.355 5 ↓

Analogs

35632879
35632879

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Popular Name: N-cyclopropyl-4-[(1R)-1-(methylamino)ethyl]benzenesulfonamide N-cyclopropyl-4-[(1R)-1-(methyla…

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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) 1.49 2.88 -48.6 3 4 1 63 255.363 5 ↓
Hi High (pH 8-9.5) 1.49 1.7 -8.74 2 4 0 58 254.355 5 ↓

Analogs

35633719
35633719
35633720
35633720
35633721
35633721
35633730
35633730
35633731
35633731

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Popular Name: N-cyclopropyl-N-ethyl-3-[(1S)-1-(propylamino)ethyl]benzenesulfonamide N-cyclopropyl-N-ethyl-3-[(1S)-1-…

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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 6.85 -48.78 2 4 1 54 311.471 8 ↓

Analogs

35633720
35633720
35633721
35633721
35633730
35633730
35633731
35633731
35633732
35633732

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Popular Name: N-cyclopropyl-N-ethyl-3-[(1R)-1-(propylamino)ethyl]benzenesulfonamide N-cyclopropyl-N-ethyl-3-[(1R)-1-…

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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 6.85 -47.29 2 4 1 54 311.471 8 ↓

Analogs

35633721
35633721
35633730
35633730
35633731
35633731
35633732
35633732
35633733
35633733

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-ethyl-3-[(1S)-1-(ethylamino)ethyl]benzenesulfonamide N-cyclopropyl-N-ethyl-3-[(1S)-1-…

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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) 2.46 6.09 -47.87 2 4 1 54 297.444 7 ↓

Analogs

35633730
35633730
35633731
35633731
35633732
35633732
35633733
35633733
35633786
35633786

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-ethyl-3-[(1R)-1-(ethylamino)ethyl]benzenesulfonamide N-cyclopropyl-N-ethyl-3-[(1R)-1-…

Find On: PubMed — Wikipedia — Google

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) 2.46 6.09 -46.42 2 4 1 54 297.444 7 ↓

Analogs

35633723
35633723
35633734
35633734
35633735
35633735
35633788
35633788
35633789
35633789

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-ethyl-3-[(1R)-1-(methylamino)ethyl]benzenesulfonamide N-cyclopropyl-N-ethyl-3-[(1R)-1-…

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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) 2.09 5.29 -49.14 2 4 1 54 283.417 6 ↓
Hi High (pH 8-9.5) 2.09 4.11 -8.18 1 4 0 49 282.409 6 ↓

Analogs

35633734
35633734
35633735
35633735
35633788
35633788
35633789
35633789
35633722
35633722

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-ethyl-3-[(1S)-1-(methylamino)ethyl]benzenesulfonamide N-cyclopropyl-N-ethyl-3-[(1S)-1-…

Find On: PubMed — Wikipedia — Google

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) 2.09 5.28 -47.51 2 4 1 54 283.417 6 ↓
Hi High (pH 8-9.5) 2.09 4.1 -7.71 1 4 0 49 282.409 6 ↓

Analogs

35633725
35633725
35633726
35633726
35633727
35633727
35633736
35633736
35633737
35633737

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-ethyl-4-[(1S)-1-(propylamino)ethyl]benzenesulfonamide N-cyclopropyl-N-ethyl-4-[(1S)-1-…

Find On: PubMed — Wikipedia — Google

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) 2.99 6.86 -49.29 2 4 1 54 311.471 8 ↓

Parameters Provided:

ring.id = 3997
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 = 3997 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=3997&filter.purchasability=annotated

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