UCSF

Frag Picks NVK RH (Public by klingnei) Fragments based on 1mM inhibitor 19516665 Purchasability Report

ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37843511
37843511

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Popular Name: 3-[(4-fluoro-2-methoxycarbonyl-phenyl)sulfamoyl]propanoic 3-[(4-fluoro-2-methoxycarbonyl-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) 1.13 3.84 -99.55 0 7 -2 115 303.267 7 ↓
Mid Mid (pH 6-8) 1.13 3.78 -46.61 1 7 -1 113 304.275 7 ↓

Analogs

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Popular Name: 5-fluoro-2-[(3-methoxy-3-oxo-propyl)sulfonylamino]benzoic 5-fluoro-2-[(3-methoxy-3-oxo-pro…

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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) 1.18 3.79 -48.07 1 7 -1 113 304.275 7 ↓
Mid Mid (pH 6-8) 1.18 3.84 -112.53 0 7 -2 115 303.267 7 ↓

Analogs

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Popular Name: 5-fluoro-2-(1H-pyrazol-4-ylsulfonylamino)benzoic 5-fluoro-2-(1H-pyrazol-4-ylsulfo…

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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) 1.20 1.67 -48.62 2 7 -1 115 284.248 4 ↓
Mid Mid (pH 6-8) 1.20 1.69 -110.88 1 7 -2 117 283.24 4 ↓

Analogs

42808338
42808338

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Popular Name: 2-(benzylsulfonylamino)-5-fluoro-benzoic 2-(benzylsulfonylamino)-5-fluoro…

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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 5.1 -47.09 1 5 -1 86 308.31 5 ↓

Analogs

42207709
42207709

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Popular Name: 2-Methanesulfonylamino-benzoic acid 2-Methanesulfonylamino-benzoic acid

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And 5 More

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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) 1.21 2 -48.57 1 5 -1 86 214.222 3 ↓
Hi High (pH 8-9.5) 1.21 2.05 -116.09 0 5 -2 88 213.214 3 ↓

Analogs

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Popular Name: 5-fluoro-2-(2-methylsulfonylethylsulfonylamino)benzoic 5-fluoro-2-(2-methylsulfonylethy…

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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) 0.75 0.6 -122.52 0 7 -2 123 323.323 6 ↓
Lo Low (pH 4.5-6) 0.75 0.55 -55.85 1 7 -1 120 324.331 6 ↓

Analogs

37056933
37056933
37843511
37843511

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Popular Name: methyl methyl

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And 1 More

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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 2.21 -38.5 0 5 -1 75 246.239 4 ↓
Mid Mid (pH 6-8) 1.61 2.15 -10.23 1 5 0 72 247.247 4 ↓

Analogs

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Popular Name: 2-(butylsulfonylamino)-5-fluoro-benzoic 2-(butylsulfonylamino)-5-fluoro-…

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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) 2.79 3.63 -44.97 1 5 -1 86 274.293 6 ↓
Hi High (pH 8-9.5) 2.79 3.69 -110.77 0 5 -2 88 273.285 6 ↓

Analogs

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Popular Name: 5-amino-2-(2-carboxyethylsulfonylamino)benzoic 5-amino-2-(2-carboxyethylsulfony…

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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) -0.22 1.55 -195.9 2 8 -3 155 285.257 6 ↓
Mid Mid (pH 6-8) -0.22 1.49 -104.06 3 8 -2 152 286.265 6 ↓