UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 3.47 6.12 -6.72 2 3 0 48 288.416 5
Mid Mid (pH 6-8) 3.47 6.46 -43.72 3 3 1 50 289.424 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) 3.47 6.12 -7.27 2 3 0 48 288.416 5
Mid Mid (pH 6-8) 3.47 6.46 -43.72 3 3 1 50 289.424 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) 3.84 8.17 -38.03 2 3 1 39 303.451 6
Mid Mid (pH 6-8) 3.84 7.04 -7.13 1 3 0 34 302.443 6

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) 3.84 8.24 -38.47 2 3 1 39 303.451 6
Mid Mid (pH 6-8) 3.84 6.98 -7.62 1 3 0 34 302.443 6

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) 3.44 6.11 -6.73 2 3 0 48 288.416 5
Mid Mid (pH 6-8) 3.44 6.45 -42 3 3 1 50 289.424 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) 3.44 6.11 -6.24 2 3 0 48 288.416 5
Mid Mid (pH 6-8) 3.44 6.45 -41.97 3 3 1 50 289.424 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) 3.82 7.03 -6.37 1 3 0 34 302.443 6
Mid Mid (pH 6-8) 3.82 8.16 -36.31 2 3 1 39 303.451 6

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) 3.82 6.99 -8.96 1 3 0 34 302.443 6
Mid Mid (pH 6-8) 3.82 8.23 -36.75 2 3 1 39 303.451 6

Analogs

41195239
41195239
41192034
41192034
41192037
41192037

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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) 4.68 8.45 -5.68 1 2 0 25 369.303 5
Mid Mid (pH 6-8) 4.68 9.35 -36.65 2 2 1 29 370.311 5

Analogs

41192034
41192034
41192037
41192037
41195236
41195236

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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) 4.68 8.66 -4.32 1 2 0 25 369.303 5
Mid Mid (pH 6-8) 4.68 9.58 -38.23 2 2 1 29 370.311 5

Analogs

41195251
41195251
41192070
41192070
41192073
41192073

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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) 4.22 9.77 -37.25 2 2 1 29 319.519 6
Mid Mid (pH 6-8) 4.22 8.66 -6.72 1 2 0 25 318.511 6

Analogs

41192070
41192070
41192073
41192073
41195248
41195248

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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) 4.22 9.83 -37.65 2 2 1 29 319.519 6
Mid Mid (pH 6-8) 4.22 8.71 -6.06 1 2 0 25 318.511 6

Analogs

41195277
41195277
41192096
41192096
41192099
41192099

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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) 4.61 9.96 -34.02 2 2 1 29 301.479 5
Hi High (pH 8-9.5) 4.61 8.85 -6.6 1 2 0 25 300.471 5

Analogs

41192096
41192096
41192099
41192099
41195274
41195274

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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) 4.61 10.02 -34.41 2 2 1 29 301.479 5
Hi High (pH 8-9.5) 4.61 8.9 -5.96 1 2 0 25 300.471 5

Analogs

41195370
41195370
41191893
41191893
41191896
41191896

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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) 4.46 9.27 -37.98 2 2 1 29 307.87 5
Mid Mid (pH 6-8) 4.46 8.16 -6.03 1 2 0 25 306.862 5

Analogs

41191893
41191893
41191896
41191896
41195368
41195368

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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) 4.46 9.34 -38.45 2 2 1 29 307.87 5
Mid Mid (pH 6-8) 4.46 8.22 -5.27 1 2 0 25 306.862 5

Analogs

41195376
41195376
41191899
41191899
41191902
41191902

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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) 3.79 8.05 -32.03 2 3 1 39 303.451 6
Mid Mid (pH 6-8) 3.79 6.95 -7.25 1 3 0 34 302.443 6

Analogs

41191899
41191899
41191902
41191902
41195374
41195374

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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) 3.79 8.01 -32.44 2 3 1 39 303.451 6
Mid Mid (pH 6-8) 3.79 7.34 -6.81 1 3 0 34 302.443 6

Analogs

41195380
41195380

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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) 4.44 9.26 -36.44 2 2 1 29 307.87 5
Mid Mid (pH 6-8) 4.44 8.16 -7.27 1 2 0 25 306.862 5

Analogs

41195378
41195378

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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) 4.44 9.33 -36.99 2 2 1 29 307.87 5
Mid Mid (pH 6-8) 4.44 8.21 -6.62 1 2 0 25 306.862 5

Analogs

41195388
41195388
41195494
41195494
41191911
41191911

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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) 4.18 9.06 -33.43 2 2 1 29 287.452 5
Mid Mid (pH 6-8) 4.18 8.19 -6.76 1 2 0 25 286.444 5

Analogs

41195492
41195492
41195494
41195494
41191911
41191911
41195386
41195386
41191914
41191914

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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) 4.18 9.36 -34.73 2 2 1 29 287.452 5
Mid Mid (pH 6-8) 4.18 8.53 -5.57 1 2 0 25 286.444 5

Analogs

41195396
41195396
41195462
41195462
41195464
41195464

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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) 4.23 9.43 -34.14 2 2 1 29 287.452 5
Hi High (pH 8-9.5) 4.23 8.32 -6.42 1 2 0 25 286.444 5

Analogs

41195462
41195462
41195464
41195464
41195394
41195394

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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) 4.23 9.5 -34.59 2 2 1 29 287.452 5
Hi High (pH 8-9.5) 4.23 8.37 -5.8 1 2 0 25 286.444 5

Analogs

41195400
41195400
41191929
41191929
41191932
41191932

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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) 4.59 9.38 -38.1 2 2 1 29 352.321 5
Mid Mid (pH 6-8) 4.59 8.27 -5.94 1 2 0 25 351.313 5

Analogs

41191929
41191929
41191932
41191932
41195398
41195398

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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) 4.59 9.45 -38.59 2 2 1 29 352.321 5
Mid Mid (pH 6-8) 4.59 8.32 -5.2 1 2 0 25 351.313 5

Analogs

41195404
41195404
41191935
41191935
41191938
41191938

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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) 3.95 8.82 -38.96 2 2 1 29 291.415 5
Mid Mid (pH 6-8) 3.95 7.71 -6.53 1 2 0 25 290.407 5

Analogs

41191935
41191935
41191938
41191938
41195402
41195402

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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) 3.95 8.89 -39.39 2 2 1 29 291.415 5
Mid Mid (pH 6-8) 3.95 7.76 -5.8 1 2 0 25 290.407 5

Analogs

41195414
41195414
41191950
41191950
41191952
41191952

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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) 3.82 8.04 -35.06 2 3 1 39 303.451 6
Mid Mid (pH 6-8) 3.82 6.94 -8.99 1 3 0 34 302.443 6

Analogs

41191950
41191950
41191952
41191952
41195411
41195411

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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) 3.82 8.11 -35.61 2 3 1 39 303.451 6
Mid Mid (pH 6-8) 3.82 7 -8.49 1 3 0 34 302.443 6

Analogs

41195427
41195427
41191973
41191973
41191976
41191976

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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) 4.53 8.49 -8.17 1 2 0 25 324.852 5
Mid Mid (pH 6-8) 4.53 9.33 -27.97 2 2 1 29 325.86 5

Analogs

41191973
41191973
41191976
41191976
41195425
41195425

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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) 4.53 8.54 -7.23 1 2 0 25 324.852 5
Mid Mid (pH 6-8) 4.53 9.34 -27.9 2 2 1 29 325.86 5

Analogs

41195440
41195440
41192000
41192000
41192003
41192003

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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) 3.84 8.05 -36.94 2 3 1 39 303.451 6
Hi High (pH 8-9.5) 3.84 6.93 -7.27 1 3 0 34 302.443 6

Analogs

41192000
41192000
41192003
41192003
41195438
41195438

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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) 3.84 8.12 -37.46 2 3 1 39 303.451 6
Hi High (pH 8-9.5) 3.84 6.99 -6.57 1 3 0 34 302.443 6

Analogs

41195452
41195452

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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) 3.92 8.82 -37.24 2 2 1 29 291.415 5
Mid Mid (pH 6-8) 3.92 7.71 -8.28 1 2 0 25 290.407 5

Analogs

41195450
41195450

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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) 3.92 8.89 -37.84 2 2 1 29 291.415 5
Mid Mid (pH 6-8) 3.92 7.76 -7.73 1 2 0 25 290.407 5

Analogs

41195456
41195456
43395016
43395016
43395017
43395017
43395030
43395030
43395031
43395031

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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) 4.21 9.42 -34.04 2 2 1 29 287.452 5
Mid Mid (pH 6-8) 4.21 8.26 -6 1 2 0 25 286.444 5

Analogs

43395016
43395016
43395017
43395017
43395030
43395030
43395031
43395031
41191755
41191755

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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) 4.21 9.49 -34.48 2 2 1 29 287.452 5
Mid Mid (pH 6-8) 4.21 8.43 -5.79 1 2 0 25 286.444 5

Analogs

41195464
41195464
41195394
41195394
41195396
41195396

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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) 4.70 10.2 -34.17 2 2 1 29 301.479 6
Hi High (pH 8-9.5) 4.70 9.09 -6.21 1 2 0 25 300.471 6

Analogs

41195394
41195394
41195396
41195396
41195462
41195462

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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) 4.70 10.26 -34.56 2 2 1 29 301.479 6
Hi High (pH 8-9.5) 4.70 9.14 -5.63 1 2 0 25 300.471 6

Analogs

41195476
41195476
41191779
41191779
41191782
41191782

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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) 4.01 8.1 -8.42 1 2 0 25 308.397 5
Mid Mid (pH 6-8) 4.01 8.95 -29.03 2 2 1 29 309.405 5

Analogs

41191779
41191779
41191782
41191782
41195474
41195474

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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) 4.01 8.14 -7.52 1 2 0 25 308.397 5
Mid Mid (pH 6-8) 4.01 9 -29.33 2 2 1 29 309.405 5

Analogs

41195494
41195494
41191773
41191773
41191776
41191776
41191806
41191806
41191809
41191809

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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) 4.61 9.73 -33.56 2 2 1 29 301.479 5
Mid Mid (pH 6-8) 4.61 8.86 -6.8 1 2 0 25 300.471 5

Analogs

41191773
41191773
41191776
41191776
41191806
41191806
41191809
41191809
41195388
41195388

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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) 4.61 10.02 -34.69 2 2 1 29 301.479 5
Mid Mid (pH 6-8) 4.61 9.2 -5.7 1 2 0 25 300.471 5

Analogs

41195511
41195511
41191833
41191833

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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) 4.68 8.24 -5.59 1 2 0 25 369.303 5
Mid Mid (pH 6-8) 4.68 9.35 -33.94 2 2 1 29 370.311 5

Analogs

41191833
41191833
41195509
41195509
41191836
41191836

Draw Identity 99% 90% 80% 70%

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) 4.68 8.64 -5.23 1 2 0 25 369.303 5
Mid Mid (pH 6-8) 4.68 9.58 -34.84 2 2 1 29 370.311 5

Analogs

41195536
41195536
41191680
41191680
41191683
41191683

Draw Identity 99% 90% 80% 70%

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) 4.04 7.89 -6.75 1 2 0 25 308.397 5
Mid Mid (pH 6-8) 4.04 8.79 -34.74 2 2 1 29 309.405 5

Analogs

41191680
41191680
41191683
41191683
41195535
41195535

Draw Identity 99% 90% 80% 70%

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) 4.04 8.1 -5.35 1 2 0 25 308.397 5
Mid Mid (pH 6-8) 4.04 9.02 -35.72 2 2 1 29 309.405 5

Analogs

41195540
41195540
41191686
41191686
41191689
41191689

Draw Identity 99% 90% 80% 70%

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) 5.04 8.46 -6.2 1 2 0 25 341.307 5
Mid Mid (pH 6-8) 5.04 9.57 -35.95 2 2 1 29 342.315 5

Analogs

41191686
41191686
41191689
41191689
41195538
41195538

Draw Identity 99% 90% 80% 70%

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) 5.04 8.79 -5.39 1 2 0 25 341.307 5
Mid Mid (pH 6-8) 5.04 9.45 -36.51 2 2 1 29 342.315 5

Parameters Provided:

ring.id = 35633
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 = 35633 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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