UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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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 7.91 -44.69 1 3 -1 52 262.354 6
Mid Mid (pH 6-8) 1.82 7.76 -19.33 1 3 0 46 263.362 7

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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 6.55 -8.79 0 6 0 60 290.298 5
Mid Mid (pH 6-8) 1.84 6.55 -9.06 0 6 0 60 290.298 5

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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) 0.04 3.37 -11.04 0 5 0 51 194.238 3
Mid Mid (pH 6-8) 0.04 3.38 -11.95 0 5 0 51 194.238 3

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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 4.61 -10.41 0 5 0 55 227.289 5
Mid Mid (pH 6-8) 1.45 4.05 -8.28 0 5 0 55 227.289 5

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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) 4.67 12.07 -59.22 1 4 -1 69 436.269 6
Lo Low (pH 4.5-6) 4.67 10 -8.87 2 4 0 66 437.277 6

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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) 4.67 12.42 -53.83 1 4 -1 69 436.269 6
Lo Low (pH 4.5-6) 4.67 10.45 -8.29 2 4 0 66 437.277 6

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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) 4.76 11.73 -49.56 1 4 -1 69 358.845 6
Lo Low (pH 4.5-6) 4.76 9.56 -9.1 2 4 0 66 359.853 6

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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) 4.76 11.61 -60.4 1 4 -1 69 358.845 6
Lo Low (pH 4.5-6) 4.76 9.59 -10.83 2 4 0 66 359.853 6

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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) 4.76 12.18 -60.6 1 4 -1 69 358.845 6
Lo Low (pH 4.5-6) 4.76 9.48 -8.58 2 4 0 66 359.853 6

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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) 4.76 11.75 -49.17 1 4 -1 69 358.845 6
Lo Low (pH 4.5-6) 4.76 9.66 -8.7 2 4 0 66 359.853 6

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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) 3.69 10.56 -55.68 1 5 -1 78 340.399 8
Lo Low (pH 4.5-6) 3.69 8.67 -14.96 2 5 0 76 341.407 8

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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) 3.69 10.42 -62.07 1 5 -1 78 340.399 8
Lo Low (pH 4.5-6) 3.69 8.66 -15.11 2 5 0 76 341.407 8

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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) 4.29 11.42 -58.63 1 4 -1 69 422.242 6
Lo Low (pH 4.5-6) 4.29 9.75 -10.41 2 4 0 66 423.25 6

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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) 4.29 11.77 -53.49 1 4 -1 69 422.242 6
Lo Low (pH 4.5-6) 4.29 9.79 -8.39 2 4 0 66 423.25 6

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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 9.06 -8.04 0 4 0 44 230.267 4

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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 7.56 -8.17 2 5 0 70 249.245 4

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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) 2.16 8.03 -9.96 2 5 0 70 265.7 4

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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) 1.79 6.59 -20.59 1 6 0 77 326.333 7

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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) 1.75 7.3 -20.53 1 9 0 123 371.33 8

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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 9.44 -41.21 0 6 0 75 312.354 5

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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) 4.83 9.35 -51.26 1 6 -1 89 313.362 7

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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) 6.17 11.18 -37.08 5 6 1 79 389.508 8
Lo Low (pH 4.5-6) 6.17 11.8 -96.35 6 6 2 80 390.516 8

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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) -0.67 1.33 -9.2 4 8 0 112 288.311 2

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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) 2.03 6.06 -41.62 0 8 -1 117 301.16 4

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12661085
12661085
12661087
12661087
3984539
3984539

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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) 0.19 3.06 -36.44 1 5 -1 90 288.323 2
Mid Mid (pH 6-8) -0.40 -0.29 -11.98 1 5 0 84 289.331 3
Mid Mid (pH 6-8) 0.19 0.15 -15.8 2 5 0 87 289.331 3

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3984540
3984540
12661085
12661085
12661087
12661087

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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) 0.19 2.48 -49.24 1 5 -1 90 288.323 2
Mid Mid (pH 6-8) -0.40 -0.33 -8.22 1 5 0 84 289.331 3
Mid Mid (pH 6-8) 0.19 -0.87 -32.2 2 5 0 87 289.331 3

Analogs

16474997
16474997
16475000
16475000

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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) 1.90 4.59 -41.24 1 4 -1 77 287.335 2
Mid Mid (pH 6-8) 1.31 0.69 -19.7 1 4 0 71 288.343 3
Mid Mid (pH 6-8) 1.31 0.5 -12.07 1 4 0 71 288.343 3

Analogs

37867972
37867972
37867974
37867974

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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) 4.32 13.24 -55.21 0 5 -1 73 383.427 5

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37867972
37867972
37867974
37867974

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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) 4.32 12.97 -56 0 5 -1 73 383.427 5
Mid Mid (pH 6-8) 4.32 11.95 -42.6 0 5 -1 73 383.427 5

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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 3.8 -45.18 0 4 -1 66 179.18 1

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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) -0.12 2.7 -7.85 0 4 0 47 171.196 2

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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) 1.62 -0.78 -127.75 0 6 -2 90 246.222 3
Mid Mid (pH 6-8) 1.16 1.96 -44.26 1 6 -1 87 247.23 3

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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 0.64 -121.75 0 5 -2 81 230.223 1
Mid Mid (pH 6-8) 1.60 3.17 -39.57 1 5 -1 78 231.231 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) 1.47 -0.49 -119.24 0 5 -2 81 216.196 1
Mid Mid (pH 6-8) 1.02 2.26 -39.05 1 5 -1 78 217.204 1

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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 13.16 -49.46 1 8 -1 97 305.362 5
Mid Mid (pH 6-8) 0.75 13.49 -32.98 2 8 0 99 306.37 5
Mid Mid (pH 6-8) 0.75 13.55 -42.4 2 8 0 99 306.37 5

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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 13.19 -49.23 1 8 -1 97 305.362 5
Mid Mid (pH 6-8) 0.75 13.52 -42.68 2 8 0 99 306.37 5
Mid Mid (pH 6-8) 0.75 13.47 -33.16 2 8 0 99 306.37 5

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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) 0.31 7.59 -46.52 0 4 -1 74 209.152 4

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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) -1.36 0.34 -15.69 4 4 0 64 157.222 2
Hi High (pH 8-9.5) -1.36 -0.13 -15.01 3 4 0 63 156.214 2

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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

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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 7.02 -25.9 4 6 0 102 397.455 4
Hi High (pH 8-9.5) 2.61 6.59 -23.44 3 6 0 101 396.447 4

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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 6.73 -39.33 4 6 0 102 397.455 4
Hi High (pH 8-9.5) 2.61 6.3 -38.66 3 6 0 101 396.447 4

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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 7.19 -26.79 4 6 0 102 397.455 4
Hi High (pH 8-9.5) 2.61 6.77 -23.67 3 6 0 101 396.447 4

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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 7.31 -35.47 4 6 0 102 397.455 4
Hi High (pH 8-9.5) 2.61 6.9 -33.87 3 6 0 101 396.447 4

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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) 0.68 5.67 -55.57 3 5 1 84 319.385 2
Mid Mid (pH 6-8) 0.68 5.25 -31.2 2 5 0 82 318.377 2

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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) 0.68 5.29 -54.47 3 5 1 84 319.385 2
Mid Mid (pH 6-8) 0.68 4.87 -31.91 2 5 0 82 318.377 2

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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) 0.68 5.6 -26.28 3 5 0 84 319.385 2
Mid Mid (pH 6-8) 0.68 5.2 -23.45 2 5 0 82 318.377 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) 0.68 6.15 -56.87 3 5 1 84 319.385 2
Mid Mid (pH 6-8) 0.68 5.75 -29.52 2 5 0 82 318.377 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) -0.24 1.89 -52.43 5 5 1 107 279.37 2
Hi High (pH 8-9.5) 0.08 0.39 -37.09 3 5 0 109 277.354 2
Hi High (pH 8-9.5) 0.08 0.58 -35.42 3 5 0 109 277.354 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) -0.24 1.21 -48.53 5 5 1 107 279.37 2
Hi High (pH 8-9.5) 0.08 0.08 -25.74 3 5 0 109 277.354 2
Hi High (pH 8-9.5) 0.08 0.28 -23.54 3 5 0 109 277.354 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) -0.24 1.92 -22.79 5 5 0 107 279.37 2
Hi High (pH 8-9.5) 0.08 0.31 -26.78 3 5 0 109 277.354 2
Hi High (pH 8-9.5) 0.08 -0.05 -29.01 3 5 0 109 277.354 2

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page.format = basic
page.num = 1
catalog.name = toslabbb
filter.purchasability = purchasable

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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  WHERE c.free = 1 AND c.short_name LIKE 'toslabbb' AND ci.sub_id_fk IN (SELECT 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  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

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