UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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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
Mid Mid (pH 6-8) -0.11 0.39 -5.16 3 3 0 51 109.132 1

Analogs

33799774
33799774
33799775
33799775
33799776
33799776

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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 -1.42 -57.54 3 4 0 69 130.147 1
Hi High (pH 8-9.5) -2.83 -1.75 -43.99 2 4 -1 64 129.139 1
Mid Mid (pH 6-8) -2.83 -0.15 -90.67 4 4 1 73 131.155 1

Analogs

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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) -0.08 1.39 -104.11 4 2 2 33 116.208 1
Mid Mid (pH 6-8) -0.08 0.15 -35.27 3 2 1 29 115.2 1
Lo Low (pH 4.5-6) -0.08 0.04 -35.21 3 2 1 29 115.2 1

Analogs

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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) -0.08 1.39 -104.07 4 2 2 33 116.208 1
Mid Mid (pH 6-8) -0.08 0.12 -36.88 3 2 1 29 115.2 1
Lo Low (pH 4.5-6) -0.08 0.04 -34.72 3 2 1 29 115.2 1

Analogs

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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

Analogs

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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) 0.32 2.46 -9.98 0 2 0 29 129.546 0
Mid Mid (pH 6-8) 1.19 0.32 -5.55 1 2 0 33 129.546 0
Mid Mid (pH 6-8) 1.19 2.14 -32.36 0 2 -1 36 128.538 0

Analogs

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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 2 -8.31 1 3 0 52 171.985 0
Ref Reference (pH 7) 1.05 1.85 -4.09 1 3 0 52 171.985 0
Hi High (pH 8-9.5) 1.05 1.83 -26.78 0 3 -1 51 170.977 0

Analogs

39295281
39295281

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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) 0.94 -0.49 -36.92 0 3 -1 49 129.526 0
Mid Mid (pH 6-8) 0.48 0.61 -15.3 1 3 0 46 130.534 0

Analogs

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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) 1.82 2.56 -12.35 1 4 0 54 189.005 0
Mid Mid (pH 6-8) 1.82 2.5 -4.65 1 4 0 54 189.005 0

Analogs

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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) -0.90 -2.57 -48.63 5 4 1 72 172.252 3
Mid Mid (pH 6-8) -0.90 -2.42 -39.63 5 4 1 72 172.252 3

Analogs

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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) 0.86 -0.51 -38.43 1 5 -1 78 214.002 0
Ref Reference (pH 7) 0.86 -0.57 -36.93 1 5 -1 78 214.002 0
Mid Mid (pH 6-8) 0.40 1.57 -12.35 2 5 0 74 215.01 0

Analogs

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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) 0.52 2.32 -10.68 1 3 0 42 147.963 0
Mid Mid (pH 6-8) 0.52 2.07 -32.12 0 3 -1 40 146.955 0
Mid Mid (pH 6-8) 0.52 2.24 -4.32 1 3 0 42 147.963 0

Analogs

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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) -0.33 4.62 -30.49 0 6 -1 86 113.056 1
Mid Mid (pH 6-8) -0.33 4.8 -5.21 1 6 0 87 114.064 1
Mid Mid (pH 6-8) -0.33 4.8 -12.25 1 6 0 87 114.064 1

Analogs

33961338
33961338

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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) -0.38 0.35 -32.72 3 3 1 52 84.102 0
Mid Mid (pH 6-8) -0.07 -0.05 -29.23 4 3 1 56 84.102 0
Mid Mid (pH 6-8) -0.07 -0.21 -5.35 3 3 0 55 83.094 0

Analogs

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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) 2.57 3.96 -6.31 1 2 0 29 170.574 0
Ref Reference (pH 7) 2.57 3.96 -4.71 1 2 0 29 170.574 0

Analogs

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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 1.97 -17.33 1 2 0 37 208.442 0
Mid Mid (pH 6-8) 2.40 0.72 -7.53 1 2 0 33 208.442 0
Mid Mid (pH 6-8) 2.40 1.51 -32.02 0 2 -1 36 207.434 0

Analogs

34482590
34482590
38343295
38343295
38343296
38343296

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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) 0.49 3.16 -99.91 4 2 2 32 156.273 0
Hi High (pH 8-9.5) 0.49 2.84 -31.24 3 2 1 30 155.265 0
Mid Mid (pH 6-8) 0.49 1.17 -44.65 3 2 1 31 155.265 0

Analogs

15977263
15977263

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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) 1.39 3.44 -39.55 0 2 -1 40 139.174 0
Ref Reference (pH 7) 1.39 5 -49.19 0 2 -1 40 139.174 0
Mid Mid (pH 6-8) 0.81 3.41 -7.64 0 2 0 34 140.182 1

Analogs

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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) 2.27 1.88 -17.87 1 2 0 37 163.991 0
Mid Mid (pH 6-8) 2.27 0.65 -7.55 1 2 0 33 163.991 0
Mid Mid (pH 6-8) 2.27 1.45 -31.81 0 2 -1 36 162.983 0

Analogs

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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) 1.12 0.34 -6.69 2 3 0 49 134.138 0
Ref Reference (pH 7) 1.12 1.13 -56.14 1 3 -1 52 133.13 0
Mid Mid (pH 6-8) 1.12 0.38 -10.98 2 3 0 49 134.138 0

Analogs

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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 2.98 -5.26 1 1 0 20 150.202 0
Hi High (pH 8-9.5) 2.61 3.73 -49.12 0 1 -1 23 149.194 0

Analogs

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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

Analogs

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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) -0.58 3.53 -33.12 2 5 0 84 203.238 5
Mid Mid (pH 6-8) -0.58 2.91 -50.21 1 5 -1 82 202.23 5

Analogs

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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) -0.59 0.67 -55.91 1 4 -1 73 172.204 4
Lo Low (pH 4.5-6) -0.59 2.14 -42.45 2 4 0 74 173.212 4

Analogs

21298238
21298238

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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) 0.03 1.15 -46.62 3 5 1 66 217.289 3
Mid Mid (pH 6-8) 0.03 -0.27 -7.01 2 5 0 62 216.281 3

Analogs

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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) -1.11 0.57 -38.6 4 4 1 69 119.144 4
Mid Mid (pH 6-8) -1.11 0.01 -6.02 3 4 0 64 118.136 4
Mid Mid (pH 6-8) -1.11 -0.17 -46.93 4 4 1 66 119.144 4

Analogs

25492098
25492098

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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) -1.30 -1.76 -11.94 5 5 0 98 126.119 0

Analogs

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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) 0.30 3.71 -69.06 3 6 0 97 258.318 4
Mid Mid (pH 6-8) 0.30 3.46 -50.72 2 6 -1 96 257.31 4

Analogs

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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 1.96 -11.51 2 4 0 62 159.185 5
Ref Reference (pH 7) 0.56 1.27 -5.9 2 4 0 62 159.185 5

Analogs

12359789
12359789
38220520
38220520
39133935
39133935

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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) 1.39 2.86 -31.34 3 3 1 52 140.21 1
Mid Mid (pH 6-8) 1.87 2.4 -25.55 4 3 1 56 140.21 1
Mid Mid (pH 6-8) 1.87 2.27 -5.09 3 3 0 55 139.202 1

Analogs

25695618
25695618

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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) 1.27 2.98 -111.38 4 2 2 33 144.262 2
Hi High (pH 8-9.5) 1.27 1.83 -31.38 3 2 1 29 143.254 2

Analogs

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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) 1.22 2.9 -6.53 1 2 0 29 208.002 0
Ref Reference (pH 7) 1.22 2.92 -4.65 1 2 0 29 208.002 0
Mid Mid (pH 6-8) 1.22 3.31 -31.37 2 2 1 30 209.01 0

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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) 5.94 8.77 -7.56 1 3 0 38 359.665 3
Ref Reference (pH 7) 5.94 8.77 -7.17 1 3 0 38 359.665 3

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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) 1.36 0.53 -42.51 1 5 -1 89 154.101 1
Mid Mid (pH 6-8) 1.36 -0.25 -12.51 2 5 0 86 155.109 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) 1.63 3.99 -50.09 0 2 -1 40 141.171 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) 1.26 4.06 -45.75 0 2 -1 40 141.171 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) 0.65 3.58 -25.29 1 5 0 79 154.125 1
Hi High (pH 8-9.5) 1.11 2.45 -43.87 0 5 -1 82 153.117 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) 1.06 0.48 -7.66 3 5 0 92 154.125 1

Analogs

19090245
19090245

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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) 0.38 2.52 -48.16 3 4 0 80 138.126 1

Analogs

39018989
39018989

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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) 3.69 2.26 -6.75 0 3 0 45 199.209 2
Hi High (pH 8-9.5) 0.84 4.26 -65.74 7 10 1 158 475.455 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) 0.02 1.63 -41.97 1 7 -1 115 156.077 2

Analogs

6382813
6382813

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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) 0.29 1.64 -40.47 1 4 -1 77 138.102 1
Hi High (pH 8-9.5) 0.29 1.24 -100.46 0 4 -2 76 137.094 1
Hi High (pH 8-9.5) 0.64 2.99 -97.22 9 9 2 152 424.484 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) 0.46 2.78 -76.91 1 4 -1 77 138.102 1
Hi High (pH 8-9.5) 0.46 2.37 -129.91 0 4 -2 76 137.094 1

Analogs

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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 2.79 -84.29 1 4 -1 77 138.102 1

Analogs

34553172
34553172

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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 3.3 -7.1 2 4 0 72 156.116 1

Analogs

34555027
34555027

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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 3.13 -5.23 2 4 0 72 156.116 1

Analogs

32134505
32134505

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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 2.98 -55.26 0 3 -1 53 136.13 1

Analogs

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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) 0.65 3.85 -45.53 0 3 -1 53 136.13 1
Lo Low (pH 4.5-6) 0.65 4.3 -45.37 1 3 0 54 137.138 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) 1.99 3.75 -4.85 2 4 0 72 172.571 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) 2.07 0.68 -4.75 0 4 0 59 172.571 1

Parameters Provided:

page.format = targets
page.num = 1
catalog.name = synergybb
filter.purchasability = purchasable

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  WHERE c.free = 1 AND c.short_name LIKE 'synergybb' 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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