UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36170668
36170668
42461701
42461701
42461703
42461703
42461763
42461763

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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 2.37 -93.38 4 3 2 35 187.331 3
Hi High (pH 8-9.5) 0.22 -0 -41.85 3 3 1 34 186.323 3
Mid Mid (pH 6-8) 0.22 1.94 -116.46 4 3 2 35 187.331 3

Analogs

37094776
37094776

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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) 0.71 3.14 -107.35 4 2 2 32 146.278 4
Hi High (pH 8-9.5) 0.71 2.65 -24.91 3 2 1 30 145.27 4

Analogs

39261668
39261668

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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 1.91 -107.92 4 2 2 32 118.224 2
Hi High (pH 8-9.5) -0.04 1.41 -26.63 3 2 1 30 117.216 2

Analogs

36790290
36790290
36790291
36790291

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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) 0.36 3.03 -108.95 4 2 2 32 144.262 2
Hi High (pH 8-9.5) 0.36 2.67 -26.78 3 2 1 30 143.254 2

Analogs

21803389
21803389
21803392
21803392
21803394
21803394
21803397
21803397
34963620
34963620

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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) 2.04 4.23 -44.91 3 2 1 31 225.381 3
Hi High (pH 8-9.5) 2.04 3.36 -2.67 2 2 0 29 224.373 3
Mid Mid (pH 6-8) 2.04 5.2 -28.17 3 2 1 30 225.381 3

Analogs

21803389
21803389
21803392
21803392
21803394
21803394
21803397
21803397
34963620
34963620

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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) 2.04 4.75 -39.18 3 2 1 31 225.381 3
Hi High (pH 8-9.5) 2.04 3.65 -1.77 2 2 0 29 224.373 3
Mid Mid (pH 6-8) 2.04 5.8 -27.53 3 2 1 30 225.381 3

Analogs

34963612
34963612
34963614
34963614
36170794
36170794
36170795
36170795
36984004
36984004

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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 2.97 -116.11 4 3 2 35 227.377 3
Mid Mid (pH 6-8) 0.52 0.5 -46.95 3 3 1 34 226.369 3

Analogs

34963612
34963612
34963614
34963614
36170794
36170794
36170795
36170795
36786839
36786839

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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 3 -102.61 4 3 2 35 227.377 3
Mid Mid (pH 6-8) 0.52 0.53 -47.12 3 3 1 34 226.369 3

Analogs

21802950
21802950
21812896
21812896
21812897
21812897
21813482
21813482
36170798
36170798

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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) 1.25 4.73 -113.4 4 3 2 35 255.793 3
Mid Mid (pH 6-8) 1.25 2.25 -41.74 3 3 1 34 254.785 3

Analogs

21802950
21802950
21812896
21812896
21812897
21812897
21813482
21813482
36170798
36170798

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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) 1.25 4.7 -113.76 4 3 2 35 255.793 3
Mid Mid (pH 6-8) 1.25 2.23 -41.92 3 3 1 34 254.785 3

Analogs

36170766
36170766
36170767
36170767
36775658
36775658
36775659
36775659
37078372
37078372

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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) 1.00 4.33 -112.37 4 4 2 45 265.401 5
Mid Mid (pH 6-8) 1.00 1.95 -41.89 3 4 1 43 264.393 5

Analogs

36170766
36170766
36170767
36170767
36775658
36775658
36775659
36775659
37078372
37078372

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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) 1.00 4.94 -100.53 4 4 2 45 265.401 5
Mid Mid (pH 6-8) 1.00 2.55 -40.6 3 4 1 43 264.393 5

Analogs

36783335
36783335
36783336
36783336
36790192
36790192
36790193
36790193
36879212
36879212

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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) 1.89 6.52 -116.02 4 3 2 41 250.386 4
Hi High (pH 8-9.5) 1.89 5.13 -38.89 3 3 1 40 249.378 4
Hi High (pH 8-9.5) 1.89 6.06 -26.6 3 3 1 40 249.378 4

Analogs

36783335
36783335
36783336
36783336
36879212
36879212
37080694
37080694
37080695
37080695

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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) 1.89 6.49 -115.58 4 3 2 41 250.386 4
Hi High (pH 8-9.5) 1.89 5.1 -38.4 3 3 1 40 249.378 4
Hi High (pH 8-9.5) 1.89 6.39 -27.09 3 3 1 40 249.378 4

Analogs

34651167
34651167
34938042
34938042
34938043
34938043
34938070
34938070
34938071
34938071

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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) 1.88 6.8 -117.37 4 2 2 32 220.36 3
Hi High (pH 8-9.5) 1.88 4.66 -44.11 3 2 1 31 219.352 3
Hi High (pH 8-9.5) 1.88 6.46 -32.13 3 2 1 30 219.352 3

Analogs

34651167
34651167
34938042
34938042
34938043
34938043
34938070
34938070
34938071
34938071

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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) 1.88 6.82 -117.01 4 2 2 32 220.36 3
Hi High (pH 8-9.5) 1.88 4.66 -44.15 3 2 1 31 219.352 3
Hi High (pH 8-9.5) 1.88 7.09 -28.26 3 2 1 30 219.352 3

Analogs

36170681
36170681
36170682
36170682
36984025
36984025
36984026
36984026
37079765
37079765

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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) 1.00 4.96 -115.35 4 3 2 35 235.375 4
Mid Mid (pH 6-8) 1.00 2.59 -46.1 3 3 1 34 234.367 4

Analogs

36170681
36170681
36170682
36170682
36984025
36984025
36984026
36984026
37079765
37079765

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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) 1.00 4.98 -115.7 4 3 2 35 235.375 4
Mid Mid (pH 6-8) 1.00 2.6 -46.24 3 3 1 34 234.367 4

Analogs

34938042
34938042
34938043
34938043
34938070
34938070
34938071
34938071
36786809
36786809

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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) 2.33 7.49 -117.63 4 2 2 32 234.387 3
Hi High (pH 8-9.5) 2.33 5.36 -43.99 3 2 1 31 233.379 3
Hi High (pH 8-9.5) 2.33 7.15 -31.91 3 2 1 30 233.379 3

Analogs

34938042
34938042
34938043
34938043
34938070
34938070
34938071
34938071
36786809
36786809

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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) 2.33 7.48 -117.86 4 2 2 32 234.387 3
Hi High (pH 8-9.5) 2.33 5.33 -44.09 3 2 1 31 233.379 3
Hi High (pH 8-9.5) 2.33 7.77 -28.25 3 2 1 30 233.379 3

Analogs

36170747
36170747
36170749
36170749
36170770
36170770
36170771
36170771
36984025
36984025

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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) 1.07 4.84 -97.87 4 3 2 35 235.375 3
Mid Mid (pH 6-8) 1.07 2.37 -44.94 3 3 1 34 234.367 3

Analogs

36170747
36170747
36170749
36170749
36170770
36170770
36170771
36170771
36984025
36984025

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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) 1.07 4.83 -97.53 4 3 2 35 235.375 3
Mid Mid (pH 6-8) 1.07 2.37 -44.84 3 3 1 34 234.367 3

Analogs

36170756
36170756
36170757
36170757
37081865
37081865
37081866
37081866

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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 3.71 -109.39 4 4 2 45 251.374 4
Mid Mid (pH 6-8) 0.68 1.24 -48.15 3 4 1 43 250.366 4

Analogs

36170756
36170756
36170757
36170757
37081865
37081865
37081866
37081866

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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 3.5 -100.87 4 4 2 45 251.374 4
Mid Mid (pH 6-8) 0.68 1.02 -47.19 3 4 1 43 250.366 4

Analogs

36783317
36783317
36783318
36783318
36786787
36786787
36786788
36786788
36786819
36786819

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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) 1.93 6.1 -121.73 4 3 2 41 250.386 4
Hi High (pH 8-9.5) 1.93 5.76 -34.82 3 3 1 40 249.378 4

Analogs

36783317
36783317
36783318
36783318
36786787
36786787
36786788
36786788
36786819
36786819

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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) 1.93 6.12 -121.37 4 3 2 41 250.386 4
Hi High (pH 8-9.5) 1.93 6.38 -30.94 3 3 1 40 249.378 4

Analogs

42899153
42899153
42899155
42899155
42906349
42906349
42906352
42906352
36786809
36786809

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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) 1.93 3.59 -42.57 3 2 1 31 207.341 5

Analogs

22169866
22169866
22169869
22169869

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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 2.96 -40.97 3 2 1 31 179.287 3

Analogs

22169866
22169866
22169869
22169869

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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 2.88 -42 3 2 1 31 179.287 3

Analogs

37081867
37081867
37081868
37081868

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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 1.31 -48.71 3 4 1 49 225.312 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) 0.38 1.6 -49.85 3 4 1 49 225.312 5

Analogs

36769410
36769410
36769411
36769411
36879505
36879505

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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 1.41 -43.2 3 4 1 49 237.323 4

Analogs

36769410
36769410
36769411
36769411
36879505
36879505

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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 1.42 -43.21 3 4 1 49 237.323 4

Analogs

21809529
21809529
21809531
21809531
21812366
21812366
21812367
21812367
36769346
36769346

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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 2.35 -43.16 3 3 1 40 241.742 3

Analogs

21809529
21809529
21809531
21809531
21812366
21812366
21812367
21812367
36769346
36769346

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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 2.37 -43.02 3 3 1 40 241.742 3

Analogs

37081869
37081869
37081870
37081870
37081977
37081977
37081978
37081978
37081998
37081998

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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 2.75 -40.11 3 2 1 31 199.705 3

Analogs

37081869
37081869
37081870
37081870
37081977
37081977
37081978
37081978
37081998
37081998

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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 2.7 -40.58 3 2 1 31 199.705 3

Analogs

34958882
34958882
36874707
36874707
36875289
36875289
36879607
36879607
36879609
36879609

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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 2.03 -46.89 3 3 1 40 207.297 3

Analogs

34958882
34958882
36874707
36874707
36875289
36875289
36879607
36879607
36879609
36879609

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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 1.96 -47.06 3 3 1 40 207.297 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) 1.54 3.13 -47.94 3 2 1 31 211.354 3
Mid Mid (pH 6-8) 1.54 4.97 -29.92 3 2 1 30 211.354 3
Lo Low (pH 4.5-6) 1.54 5.32 -120.6 4 2 2 32 212.362 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) 1.54 3.09 -44.17 3 2 1 31 211.354 3
Mid Mid (pH 6-8) 1.54 4.56 -27.55 3 2 1 30 211.354 3
Lo Low (pH 4.5-6) 1.54 5.31 -112.84 4 2 2 32 212.362 3

Analogs

34963624
34963624
34963626
34963626
36783369
36783369
36783370
36783370
36783491
36783491

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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) 1.03 2.52 -43.56 3 2 1 31 197.327 3
Hi High (pH 8-9.5) 1.03 2.19 -2.03 2 2 0 29 196.319 3
Mid Mid (pH 6-8) 1.03 4.19 -30.02 3 2 1 30 197.327 3

Analogs

26513917
26513917
26513919
26513919
34963624
34963624
34963626
34963626
36783369
36783369

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) 1.03 2.48 -43.17 3 2 1 31 197.327 3
Hi High (pH 8-9.5) 1.03 2.3 -2.39 2 2 0 29 196.319 3
Mid Mid (pH 6-8) 1.03 4.98 -26.76 3 2 1 30 197.327 3

Analogs

36786839
36786839
36786840
36786840
36984031
36984031
36984032
36984032
37078442
37078442

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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) 1.38 2.88 -45.29 3 2 1 31 199.343 5
Hi High (pH 8-9.5) 1.38 2.65 -2.12 2 2 0 29 198.335 5
Mid Mid (pH 6-8) 1.38 4.11 -28.2 3 2 1 30 199.343 5

Analogs

36786839
36786839
36786840
36786840
36984031
36984031
36984032
36984032
37078442
37078442

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) 1.38 2.78 -42.41 3 2 1 31 199.343 5
Hi High (pH 8-9.5) 1.38 2.09 -1.91 2 2 0 29 198.335 5
Mid Mid (pH 6-8) 1.38 4.87 -26 3 2 1 30 199.343 5

Analogs

37078726
37078726
37081837
37081837
37081838
37081838

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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) 1.16 2.54 -46.48 3 3 1 40 209.313 5

Analogs

37078726
37078726
37081837
37081837
37081838
37081838

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) 1.16 2.47 -44.08 3 3 1 40 209.313 5

Analogs

21809529
21809529
21809531
21809531
42944213
42944213
42944214
42944214
42944216
42944216

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) 1.25 2.56 -50.58 3 3 1 40 241.742 3

Analogs

21809529
21809529
21809531
21809531
42944213
42944213
42944214
42944214
42944216
42944216

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) 1.25 2.25 -51 3 3 1 40 241.742 3

Analogs

42944577
42944577
42944579
42944579
42944581
42944581
42944583
42944583

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) 1.41 2.63 -45 3 2 1 31 199.705 3

Parameters Provided:

page.format = targets
page.num = 1
catalog.name = zylexabb
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 'zylexabb' 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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