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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Vendors

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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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Vendors

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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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Vendors

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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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Vendors

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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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Vendors

And 6 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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Vendors

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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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Vendors

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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Vendors

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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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Vendors

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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