UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8845308
8845308
8845309
8845309
9409153
9409153
9409154
9409154
8606549
8606549

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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) 5.45 12.11 -16.93 2 7 0 88 497.595 10
Mid Mid (pH 6-8) 5.45 12.88 -56.15 1 7 -1 91 496.587 10

Analogs

8606550
8606550
8845308
8845308
8845309
8845309
9409153
9409153
9409154
9409154

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Vendors

And 4 More

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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) 5.45 11.83 -15.81 2 7 0 88 497.595 10
Mid Mid (pH 6-8) 5.45 12.6 -55.92 1 7 -1 91 496.587 10

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) 5.33 10.62 -10.67 2 5 0 69 474.358 5
Mid Mid (pH 6-8) 5.33 11.39 -49.74 1 5 -1 72 473.35 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) 5.33 11.02 -10.67 2 5 0 69 474.358 5
Ref Reference (pH 7) 5.33 11.15 -11.9 2 5 0 69 474.358 5
Hi High (pH 8-9.5) 5.33 11.92 -43.64 1 5 -1 72 473.35 5

Analogs

5343472
5343472
5343473
5343473
5343738
5343738
5343739
5343739
6744882
6744882

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Vendors

And 7 More

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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) 2.64 5.14 -16.18 2 8 0 97 423.469 8
Hi High (pH 8-9.5) 2.62 5.84 -63.5 0 8 -1 96 422.461 8
Hi High (pH 8-9.5) 2.62 5.89 -54.88 0 8 -1 96 422.461 8

Analogs

5339894
5339894
5343472
5343472
5343473
5343473
5343738
5343738
5343739
5343739

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Vendors

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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) 2.64 5.53 -15.07 2 8 0 97 423.469 8
Hi High (pH 8-9.5) 2.62 6.1 -48.02 0 8 -1 96 422.461 8
Hi High (pH 8-9.5) 2.62 5.88 -60.63 0 8 -1 96 422.461 8

Analogs

38610533
38610533
38610536
38610536
38610668
38610668
38610670
38610670

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Vendors

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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) 4.51 8.25 -13.13 2 6 0 78 405.498 7
Mid Mid (pH 6-8) 4.51 9.02 -53.44 1 6 -1 81 404.49 7

Analogs

38610533
38610533
38610536
38610536
38610668
38610668
38610670
38610670

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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) 4.51 7.96 -13.68 2 6 0 78 405.498 7
Mid Mid (pH 6-8) 4.51 8.72 -54.5 1 6 -1 81 404.49 7

Analogs

8606549
8606549

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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) 5.63 11.98 -17.06 2 7 0 88 497.595 10
Mid Mid (pH 6-8) 5.63 12.74 -55.99 1 7 -1 91 496.587 10

Analogs

8606549
8606549

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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) 5.63 11.69 -16.04 2 7 0 88 497.595 10
Mid Mid (pH 6-8) 5.63 12.46 -55.82 1 7 -1 91 496.587 10

Analogs

39912606
39912606
39912607
39912607

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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) 6.55 12.85 -13.42 2 6 0 78 481.596 10
Mid Mid (pH 6-8) 6.55 13.62 -52.77 1 6 -1 81 480.588 10

Analogs

39912606
39912606
39912607
39912607
8845298
8845298

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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) 6.55 12.57 -13.93 2 6 0 78 481.596 10
Mid Mid (pH 6-8) 6.55 13.33 -53.74 1 6 -1 81 480.588 10

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) 6.28 12.85 -11.87 2 6 0 78 487.559 7
Mid Mid (pH 6-8) 6.28 13.62 -52.09 1 6 -1 81 486.551 7

Analogs

33761731
33761731
33761732
33761732
33767608
33767608
33767609
33767609
34918895
34918895

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Vendors

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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) 4.89 13 -44.08 0 6 -1 79 468.529 10
Mid Mid (pH 6-8) 5.33 0.36 -25.66 1 6 0 76 469.537 9
Mid Mid (pH 6-8) 4.30 0.61 -21.14 0 6 0 72 469.537 10

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) 6.28 13.32 -11.93 2 6 0 78 487.559 7
Mid Mid (pH 6-8) 6.28 14.09 -52.58 1 6 -1 81 486.551 7

Analogs

5343821
5343821

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Vendors

And 8 More

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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) 4.71 10.06 -13.73 2 5 0 69 413.452 5
Hi High (pH 8-9.5) 4.69 10.72 -51.01 0 5 -1 68 412.444 5
Hi High (pH 8-9.5) 4.69 10.67 -57.47 0 5 -1 68 412.444 5

Analogs

6752873
6752873

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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) 4.71 10.47 -13.54 2 5 0 69 413.452 5
Hi High (pH 8-9.5) 4.69 10.71 -57.52 0 5 -1 68 412.444 5
Hi High (pH 8-9.5) 4.69 10.92 -43.58 0 5 -1 68 412.444 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) 4.96 10.51 -11.75 2 6 0 78 439.515 7
Mid Mid (pH 6-8) 4.96 11.28 -51.6 1 6 -1 81 438.507 7

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) 4.96 10.2 -11.27 2 6 0 78 439.515 7
Mid Mid (pH 6-8) 4.96 10.97 -51.47 1 6 -1 81 438.507 7

Analogs

39912604
39912604
39912605
39912605

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Vendors

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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) 5.48 11.29 -13.54 2 6 0 78 453.542 8
Mid Mid (pH 6-8) 5.48 12.06 -52.91 1 6 -1 81 452.534 8

Analogs

39912604
39912604
39912605
39912605
39912606
39912606
39912607
39912607

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Vendors

And 4 More

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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) 5.48 11 -13.95 2 6 0 78 453.542 8
Mid Mid (pH 6-8) 5.48 11.77 -53.79 1 6 -1 81 452.534 8

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) 3.83 9.43 -61.14 0 8 -1 97 494.564 11
Mid Mid (pH 6-8) 4.27 8.69 -27.19 1 8 0 95 495.572 10
Mid Mid (pH 6-8) 3.24 -0.63 -21.74 0 8 0 91 495.572 11

Analogs

40096821
40096821
40096822
40096822
40101474
40101474
40101475
40101475
40101480
40101480

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Vendors

And 10 More

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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) 3.05 9.33 -57.25 0 8 -1 97 466.51 10
Mid Mid (pH 6-8) 3.50 7 -28.18 1 8 0 95 467.518 9

Analogs

40096821
40096821
40096822
40096822
40101474
40101474
40101475
40101475
40101480
40101480

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Vendors

And 10 More

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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) 3.05 8.93 -58.44 0 8 -1 97 466.51 10
Mid Mid (pH 6-8) 3.50 7.39 -27.34 1 8 0 95 467.518 9
Mid Mid (pH 6-8) 2.47 -1.06 -21.9 0 8 0 91 467.518 10

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) 4.90 13.23 -18.96 0 7 0 74 483.578 5

Analogs

8384284
8384284
33761731
33761731
33761732
33761732
33767608
33767608
33767609
33767609

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Vendors

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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) 4.89 12.19 -42.72 0 6 -1 79 468.529 10
Mid Mid (pH 6-8) 4.30 0.59 -19.02 0 6 0 72 469.537 10
Mid Mid (pH 6-8) 5.33 0.36 -26.46 1 6 0 76 469.537 9

Analogs

2263950
2263950

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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) 5.17 13.32 -19.51 0 8 0 84 507.575 6

Analogs

34932204
34932204
34932206
34932206

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Vendors

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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) 4.85 13.81 -51.53 0 6 -1 83 482.487 8
Mid Mid (pH 6-8) 5.30 11.99 -28.03 1 6 0 80 483.495 7
Mid Mid (pH 6-8) 4.26 12.99 -18.44 0 6 0 77 483.495 8

Analogs

13749126
13749126

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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) 4.19 1.03 -20.57 0 7 0 74 423.494 7

Analogs

34932204
34932204
34932206
34932206

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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) 4.85 13.77 -54.58 0 6 -1 83 482.487 8
Mid Mid (pH 6-8) 5.30 11.57 -29.75 1 6 0 80 483.495 7
Mid Mid (pH 6-8) 4.26 12.61 -22.36 0 6 0 77 483.495 8

Analogs

33960064
33960064
33960065
33960065
33960169
33960169
33960170
33960170
33960174
33960174

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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) 3.55 7.94 -16.65 1 6 0 75 418.569 6

Analogs

27022436
27022436

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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 10.19 -16.13 0 5 0 60 335.388 3

Analogs

9282037
9282037
27021631
27021631

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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) 4.64 1.17 -15.3 0 6 0 65 405.479 5

Analogs

27021627
27021627
27022081
27022081
27022423
27022423
39858391
39858391
39858400
39858400

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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) 4.62 11.89 -17.22 0 6 0 66 419.506 6

Analogs

5215310
5215310

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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) 5.19 12.72 -16.25 0 5 0 57 401.491 5

Analogs

16736126
16736126
16736408
16736408
16742090
16742090
16742153
16742153
16742158
16742158

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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) 5.69 13.47 -16.93 0 6 0 66 447.56 8

Analogs

16779400
16779400
27021535
27021535
16735265
16735265

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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) 5.89 12.63 -11.87 0 4 0 47 414.317 3

Analogs

16735845
16735845
27021637
27021637

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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) 5.84 14.95 -18.49 0 6 0 66 481.577 7

Analogs

16735647
16735647
16736126
16736126
16742090
16742090
16742146
16742146
16742407
16742407

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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) 5.50 13.61 -16.64 0 6 0 66 447.56 8

Analogs

16779391
16779391
27021514
27021514
27021592
27021592
16735440
16735440

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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) 5.52 13.09 -13.79 0 4 0 47 373.481 4

Analogs

40175358
40175358

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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) 2.41 4.74 -8.08 0 3 0 39 190.198 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) 5.92 11.71 -13.01 1 5 0 75 491.922 8
Lo Low (pH 4.5-6) 5.92 11.88 -47.75 2 5 1 76 492.93 8

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) 5.95 11.6 -16.87 1 5 0 75 491.922 8
Lo Low (pH 4.5-6) 5.95 11.77 -53.92 2 5 1 76 492.93 8

Analogs

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Vendors

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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) 7.01 13.18 -16.6 1 5 0 75 519.976 10
Lo Low (pH 4.5-6) 7.01 13.35 -53.97 2 5 1 76 520.984 10

Analogs

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Vendors

And 4 More

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) 5.27 10.56 -10.97 1 4 0 66 453.898 6
Lo Low (pH 4.5-6) 5.27 10.82 -44.49 2 4 1 67 454.906 6

Analogs

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Vendors

And 4 More

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) 5.57 10.67 -17.09 1 5 0 75 477.895 7
Lo Low (pH 4.5-6) 5.57 10.84 -53.98 2 5 1 76 478.903 7

Analogs

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Vendors

And 4 More

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) 6.99 13.29 -12.76 1 5 0 75 519.976 10
Lo Low (pH 4.5-6) 6.99 13.47 -47.76 2 5 1 76 520.984 10

Analogs

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Vendors

And 4 More

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) 5.74 1.13 -16.9 0 6 0 65 455.967 7

Analogs

34989301
34989301
34989527
34989527
34990209
34990209
2366594
2366594

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Vendors

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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) 6.21 15.63 -14.19 0 6 0 65 495.995 4

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 5 More

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) 7.49 1.54 -13.9 1 5 0 67 468.022 4

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = otava
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 'otava' 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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