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) 3.36 8.74 -46.93 2 3 1 38 303.332 5
Hi High (pH 8-9.5) 3.36 7.33 -11.75 1 3 0 34 302.324 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) 3.36 1.28 -46.19 2 3 1 38 303.332 5

Analogs

36145789
36145789

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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 11.61 -45.11 2 5 1 55 411.566 11

Analogs

36145788
36145788

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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 10.93 -41.19 2 5 1 55 411.566 11

Analogs

36145791
36145791
35743012
35743012
35743013
35743013

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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) 4.28 11.25 -45.2 2 5 1 55 411.566 10

Analogs

35743012
35743012
35743013
35743013
36145790
36145790

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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) 4.28 10.82 -39.89 2 5 1 55 411.566 10

Analogs

36145795
36145795
36145800
36145800
36145801
36145801

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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) 4.48 11.38 -49.79 2 5 1 55 431.984 10
Hi High (pH 8-9.5) 4.48 9.11 -10.71 1 5 0 54 430.976 10

Analogs

36145800
36145800
36145801
36145801
36145794
36145794

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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) 4.48 10.71 -43.3 2 5 1 55 431.984 10
Hi High (pH 8-9.5) 4.48 8.56 -9.66 1 5 0 54 430.976 10

Analogs

36145799
36145799

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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) 4.87 12.12 -49.67 2 5 1 55 446.011 11
Hi High (pH 8-9.5) 4.87 9.86 -10.49 1 5 0 54 445.003 11

Analogs

36145798
36145798

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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) 4.87 11.45 -43.17 2 5 1 55 446.011 11
Hi High (pH 8-9.5) 4.87 9.31 -9.53 1 5 0 54 445.003 11

Analogs

36145801
36145801
36145794
36145794
36145795
36145795

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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) 4.93 11.76 -49.73 2 5 1 55 446.011 10
Hi High (pH 8-9.5) 4.93 9.49 -10.61 1 5 0 54 445.003 10

Analogs

36145794
36145794
36145795
36145795
36145800
36145800

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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) 4.93 11.09 -43.18 2 5 1 55 446.011 10
Hi High (pH 8-9.5) 4.93 8.94 -9.6 1 5 0 54 445.003 10

Analogs

36145803
36145803
36145808
36145808
36145809
36145809

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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) 3.97 10.94 -51.16 2 5 1 55 415.529 10
Hi High (pH 8-9.5) 3.97 8.66 -11.8 1 5 0 54 414.521 10

Analogs

36145808
36145808
36145809
36145809
36145802
36145802

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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) 3.97 10.26 -44.18 2 5 1 55 415.529 10
Hi High (pH 8-9.5) 3.97 8.11 -10.23 1 5 0 54 414.521 10

Analogs

36145807
36145807

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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) 4.35 11.68 -50.89 2 5 1 55 429.556 11
Hi High (pH 8-9.5) 4.35 9.41 -11.61 1 5 0 54 428.548 11

Analogs

36145806
36145806

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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) 4.35 11 -44 2 5 1 55 429.556 11
Hi High (pH 8-9.5) 4.35 8.85 -10.04 1 5 0 54 428.548 11

Analogs

36145809
36145809
36145802
36145802
36145803
36145803

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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) 4.42 11.32 -51.03 2 5 1 55 429.556 10
Hi High (pH 8-9.5) 4.42 9.04 -11.76 1 5 0 54 428.548 10

Analogs

36145802
36145802
36145803
36145803
36145808
36145808

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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) 4.42 10.64 -43.95 2 5 1 55 429.556 10
Hi High (pH 8-9.5) 4.42 8.49 -10.11 1 5 0 54 428.548 10

Analogs

36145817
36145817

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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) 4.47 11.78 -51.97 2 5 1 55 447.546 11
Hi High (pH 8-9.5) 4.47 9.3 -12.46 1 5 0 54 446.538 11

Analogs

36145816
36145816

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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) 4.47 10.91 -42.45 2 5 1 55 447.546 11
Hi High (pH 8-9.5) 4.47 8.79 -9.24 1 5 0 54 446.538 11

Analogs

36145819
36145819

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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 11.41 -52.17 2 5 1 55 447.546 10
Hi High (pH 8-9.5) 4.53 8.93 -12.52 1 5 0 54 446.538 10

Analogs

36145818
36145818

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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 10.57 -42.46 2 5 1 55 447.546 10
Hi High (pH 8-9.5) 4.53 8.43 -9.45 1 5 0 54 446.538 10

Analogs

36145833
36145833
36145838
36145838
36145839
36145839

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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) 4.12 8.76 -41.57 2 6 1 65 447.983 11
Hi High (pH 8-9.5) 4.12 6.63 -11.63 1 6 0 64 446.975 11

Analogs

36145838
36145838
36145839
36145839
36145832
36145832

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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) 4.12 9.24 -42.88 2 6 1 65 447.983 11
Hi High (pH 8-9.5) 4.12 6.75 -13.52 1 6 0 64 446.975 11

Analogs

36145837
36145837

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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) 4.50 9.51 -41.4 2 6 1 65 462.01 12
Hi High (pH 8-9.5) 4.50 7.37 -11.44 1 6 0 64 461.002 12

Analogs

36145836
36145836

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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) 4.50 9.99 -42.7 2 6 1 65 462.01 12
Hi High (pH 8-9.5) 4.50 7.49 -13.24 1 6 0 64 461.002 12

Analogs

36145839
36145839
36145832
36145832
36145833
36145833

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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) 4.56 9.16 -41.45 2 6 1 65 462.01 11
Hi High (pH 8-9.5) 4.56 7.01 -11.54 1 6 0 64 461.002 11

Analogs

36145832
36145832
36145833
36145833
36145838
36145838

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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) 4.56 9.63 -42.74 2 6 1 65 462.01 11
Hi High (pH 8-9.5) 4.56 7.14 -13.48 1 6 0 64 461.002 11

Analogs

36145843
36145843
35743026
35743026
35743027
35743027

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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) 3.74 8.61 -45.98 2 6 1 65 449.518 11
Hi High (pH 8-9.5) 3.74 6.37 -11.89 1 6 0 64 448.51 11

Analogs

35743026
35743026
35743027
35743027
36145842
36145842

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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) 3.74 9.35 -45.25 2 6 1 65 449.518 11
Hi High (pH 8-9.5) 3.74 7.25 -12.13 1 6 0 64 448.51 11

Analogs

36145847
36145847

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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) 3.58 9.13 -54.31 2 6 1 65 431.528 11

Analogs

36145846
36145846

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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) 3.58 9.37 -53.35 2 6 1 65 431.528 11

Analogs

36145851
36145851

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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) 3.96 9.44 -47.09 2 6 1 65 445.555 12

Analogs

36145850
36145850

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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) 3.96 9.26 -45.61 2 6 1 65 445.555 12

Analogs

36145855
36145855
36145864
36145864
36145865
36145865

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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) 3.59 9.32 -45.68 2 5 1 55 401.502 10

Analogs

36145864
36145864
36145865
36145865
36145854
36145854

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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) 3.59 9.14 -45.74 2 5 1 55 401.502 10

Analogs

36145857
36145857
36145862
36145862
36145863
36145863
36147086
36147086
36147089
36147089

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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) 4.31 10.34 -50.62 2 4 1 46 371.476 9

Analogs

36145862
36145862
36145863
36145863
36147086
36147086
36147089
36147089
36145856
36145856

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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) 4.31 10.77 -45.07 2 4 1 46 371.476 9

Analogs

36145861
36145861

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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) 3.98 10.06 -45.62 2 5 1 55 415.529 11

Analogs

36145860
36145860

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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) 3.98 10.82 -45.45 2 5 1 55 415.529 11

Analogs

36145863
36145863
36147086
36147086
36147089
36147089
36145856
36145856
36145857
36145857

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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) 3.75 9.57 -50.24 2 4 1 46 357.449 8

Analogs

36147086
36147086
36147089
36147089
36145856
36145856
36145857
36145857
36145862
36145862

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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) 3.75 10 -44.69 2 4 1 46 357.449 8

Analogs

36145865
36145865
36145854
36145854
36145855
36145855

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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) 4.04 9.7 -45.57 2 5 1 55 415.529 10

Analogs

36145854
36145854
36145855
36145855
36145864
36145864

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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) 4.04 10.46 -45.41 2 5 1 55 415.529 10

Analogs

36145867
36145867

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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) 3.86 11.01 -49.24 2 6 1 73 429.512 12

Analogs

36145866
36145866

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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) 3.86 10.83 -49.37 2 6 1 73 429.512 12

Analogs

36145869
36145869

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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) 3.23 8.57 -45.73 2 5 1 55 387.475 10

Analogs

36145868
36145868

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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) 3.23 8.39 -45.82 2 5 1 55 387.475 10

Analogs

36145873
36145873
36145878
36145878
36145879
36145879

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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) 3.54 9.24 -41.16 2 5 1 55 401.502 10
Hi High (pH 8-9.5) 3.54 7 -12.29 1 5 0 54 400.494 10

Analogs

36145878
36145878
36145879
36145879
36145872
36145872

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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) 3.54 9.97 -40.5 2 5 1 55 401.502 10
Hi High (pH 8-9.5) 3.54 7.87 -12.45 1 5 0 54 400.494 10

Parameters Provided:

ring.id = 3528
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 = 3528 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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