UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4969666
4969666

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 5.78 -22.49 1 8 0 94 363.377 4

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.91 4.21 -18.05 1 9 0 104 393.403 5
Ref Reference (pH 7) 1.91 3.87 -16.56 1 9 0 104 393.403 5
Ref Reference (pH 7) 1.91 4.87 -25.97 1 9 0 104 393.403 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) 1.99 5.01 -13.76 1 8 0 94 381.367 4

Analogs

4969670
4969670
4969690
4969690
4484053
4484053

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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) 2.70 6.12 -15.17 1 8 0 94 391.431 4
Ref Reference (pH 7) 2.70 5.78 -13.53 1 8 0 94 391.431 4
Ref Reference (pH 7) 2.70 6.78 -22.51 1 8 0 94 391.431 4

Analogs

2785928
2785928
4969682
4969682

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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) 2.79 7.03 -22.19 1 8 0 94 391.431 5
Ref Reference (pH 7) 2.79 6.4 -14.97 1 8 0 94 391.431 5
Ref Reference (pH 7) 2.79 5.93 -14.61 1 8 0 94 391.431 5

Analogs

2783396
2783396

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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) 2.55 6.11 -20.54 1 8 0 94 397.822 4

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 3.28 -11.31 1 9 0 104 397.366 5
Ref Reference (pH 7) 1.60 3.77 -13.83 1 9 0 104 397.366 5
Ref Reference (pH 7) 1.60 3.32 -12.92 1 9 0 104 397.366 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) 1.84 4.47 -13.97 1 8 0 94 403.32 4

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.50 5.28 -11.89 1 8 0 94 395.394 5
Ref Reference (pH 7) 2.50 5.79 -14.33 1 8 0 94 395.394 5
Ref Reference (pH 7) 2.50 5.32 -13.56 1 8 0 94 395.394 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) 3.10 5.75 -11.74 1 8 0 94 409.421 5

Analogs

9748381
9748381
9748387
9748387
9748404
9748404
9748411
9748411

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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) 2.90 5.63 -17.45 1 8 0 94 411.849 4

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 4.4 -16.71 1 9 0 104 407.43 5

Analogs

4484059
4484059

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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) 3.08 7.65 -22.91 1 8 0 94 405.458 4
Ref Reference (pH 7) 3.08 7.04 -15.36 1 8 0 94 405.458 4
Ref Reference (pH 7) 3.08 6.58 -15.41 1 8 0 94 405.458 4

Analogs

4969670
4969670
4484053
4484053

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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) 3.08 6.8 -15.23 1 8 0 94 405.458 4

Analogs

4852075
4852075

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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) 3.17 6.41 -12.68 1 8 0 94 405.458 5

Analogs

4484059
4484059

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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) 2.52 7.82 -15.13 1 8 0 94 419.485 4

Analogs

2783852
2783852
2785510
2785510
18162267
18162267
18162281
18162281

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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) 2.10 4.41 -15.63 1 8 0 94 383.795 4
Ref Reference (pH 7) 2.10 5.41 -22.13 1 8 0 94 383.795 4
Ref Reference (pH 7) 2.10 4.75 -15.26 1 8 0 94 383.795 4

Analogs

2787044
2787044
18162269
18162269
18162406
18162406

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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) 2.24 -1.06 -20.72 1 8 0 94 401.785 4

Analogs

18157181
18157181

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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) 2.65 5.88 -14.68 1 10 0 121 455.858 7
Ref Reference (pH 7) 2.65 5.92 -16.33 1 10 0 121 455.858 7
Ref Reference (pH 7) 2.65 7.01 -23.16 1 10 0 121 455.858 7

Analogs

6729338
6729338

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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) 2.55 5.09 -15.49 1 8 0 94 397.822 4
Ref Reference (pH 7) 2.55 5.09 -13.53 1 8 0 94 397.822 4
Ref Reference (pH 7) 2.55 6.09 -22.11 1 8 0 94 397.822 4

Analogs

18154084
18154084

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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) 1.77 -1.48 -19.21 1 9 0 111 405.414 5

Analogs

9675238
9675238
9675240
9675240
18202490
18202490

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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) 2.11 6.56 -23.33 1 10 0 121 439.403 7
Ref Reference (pH 7) 2.11 5.46 -18.32 1 10 0 121 439.403 7
Ref Reference (pH 7) 2.11 5.42 -16.72 1 10 0 121 439.403 7

Analogs

2783694
2783694
2783833
2783833
18162340
18162340

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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) 1.98 4.92 -18.49 1 11 0 130 451.439 8
Ref Reference (pH 7) 1.98 5.33 -20.44 1 11 0 130 451.439 8
Ref Reference (pH 7) 1.98 4.95 -20.22 1 11 0 130 451.439 8

Analogs

2787209
2787209
4969659
4969659
18166062
18166062
21367298
21367298

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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) 1.87 4.91 -14.97 1 8 0 94 363.377 4
Ref Reference (pH 7) 1.87 4.57 -13.41 1 8 0 94 363.377 4
Ref Reference (pH 7) 1.87 5.57 -22.29 1 8 0 94 363.377 4

Analogs

2783542
2783542

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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) 2.42 6.03 -15.42 1 10 0 121 435.44 7
Ref Reference (pH 7) 2.42 6.55 -18.05 1 10 0 121 435.44 7
Ref Reference (pH 7) 2.42 6.07 -17.31 1 10 0 121 435.44 7

Analogs

2783542
2783542

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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) 2.89 6.92 -19.68 1 10 0 121 449.467 8
Ref Reference (pH 7) 2.89 6.92 -17.69 1 10 0 121 449.467 8
Ref Reference (pH 7) 2.89 7.92 -26.44 1 10 0 121 449.467 8

Analogs

2785510
2785510
18162267
18162267
18162281
18162281
2782677
2782677

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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) 2.78 5.95 -20.43 1 8 0 94 418.24 4
Ref Reference (pH 7) 2.78 4.85 -13.54 1 8 0 94 418.24 4
Ref Reference (pH 7) 2.78 4.81 -11.85 1 8 0 94 418.24 4

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 6.9 -24.73 1 10 0 121 493.373 7
Ref Reference (pH 7) 2.41 6.29 -18.34 1 10 0 121 493.373 7
Ref Reference (pH 7) 2.41 5.91 -19.01 1 10 0 121 493.373 7

Analogs

18162299
18162299

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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) 2.11 5.94 -22.79 1 9 0 112 470.283 5
Ref Reference (pH 7) 2.11 4.84 -17.41 1 9 0 112 470.283 5
Ref Reference (pH 7) 2.11 4.8 -16.06 1 9 0 112 470.283 5

Analogs

18162302
18162302

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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) 2.21 4.38 -13.07 1 8 0 94 428.246 4
Ref Reference (pH 7) 2.21 4.42 -14.79 1 8 0 94 428.246 4
Ref Reference (pH 7) 2.21 5.53 -20.3 1 8 0 94 428.246 4

Analogs

18162303
18162303

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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) 1.43 3.74 -17.57 1 9 0 104 379.376 5
Ref Reference (pH 7) 1.43 4.41 -23.5 1 9 0 104 379.376 5
Ref Reference (pH 7) 1.43 3.44 -20.28 1 9 0 104 379.376 5

Analogs

18162267
18162267
18162281
18162281
2782677
2782677
2783852
2783852

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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) 2.10 4.29 -11.7 1 8 0 94 383.795 4
Ref Reference (pH 7) 2.10 4.8 -14.16 1 8 0 94 383.795 4
Ref Reference (pH 7) 2.10 4.33 -13.37 1 8 0 94 383.795 4

Analogs

2787327
2787327
2787464
2787464
18162319
18162319
18166052
18166052
18211302
18211302

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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) 1.56 -1.39 -13.96 1 8 0 94 367.34 4

Analogs

9674455
9674455
9674519
9674519
9674521
9674521
18166071
18166071
18166076
18166076

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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) 2.71 5.22 -12.97 1 8 0 94 418.24 4
Ref Reference (pH 7) 2.71 5.25 -13.69 1 8 0 94 418.24 4
Ref Reference (pH 7) 2.71 6.25 -18.52 1 8 0 94 418.24 4

Analogs

9674461
9674461
18162326
18162326

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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) 2.69 5.72 -16.11 1 8 0 94 418.24 4

Analogs

4483295
4483295
4483842
4483842
4483870
4483870
4483877
4483877
4969682
4969682

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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) 2.34 5.33 -15.19 1 8 0 94 377.404 5
Ref Reference (pH 7) 2.34 6.33 -21.99 1 8 0 94 377.404 5
Ref Reference (pH 7) 2.34 5.68 -14.77 1 8 0 94 377.404 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) 3.08 6.24 -15.7 1 8 0 94 456.3 5
Ref Reference (pH 7) 3.08 6.31 -13.24 1 8 0 94 456.3 5
Ref Reference (pH 7) 3.08 6.44 -20.64 1 8 0 94 456.3 5

Analogs

18162334
18162334

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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) 1.43 4.91 -22.33 1 8 0 94 349.35 4
Ref Reference (pH 7) 1.43 3.81 -14.9 1 8 0 94 349.35 4
Ref Reference (pH 7) 1.43 3.77 -12.66 1 8 0 94 349.35 4

Analogs

18162340
18162340

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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) 2.37 6.71 -17.75 1 10 0 121 435.44 7

Analogs

9748331
9748331
9748338
9748338

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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) 3.16 5.89 -17 1 8 0 94 432.267 4
Ref Reference (pH 7) 3.16 5.55 -15.55 1 8 0 94 432.267 4
Ref Reference (pH 7) 3.16 6.55 -24.1 1 8 0 94 432.267 4

Analogs

9674469
9674469
9674470
9674470
18162357
18162357

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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) 3.16 5.9 -12.97 1 8 0 94 432.267 4
Ref Reference (pH 7) 3.16 5.93 -13.7 1 8 0 94 432.267 4
Ref Reference (pH 7) 3.16 6.93 -18.56 1 8 0 94 432.267 4

Analogs

18162360
18162360

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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) 2.00 4.54 -17.44 1 8 0 94 439.3 4

Analogs

9674670
9674670

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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) 2.91 4.91 -11.86 1 8 0 94 462.691 4
Ref Reference (pH 7) 2.91 5.43 -14.33 1 8 0 94 462.691 4
Ref Reference (pH 7) 2.91 4.95 -13.55 1 8 0 94 462.691 4

Analogs

2787087
2787087
9674554
9674554
9674555
9674555
18162366
18162366
18162412
18162412

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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) 3.51 8.09 -20.1 1 8 0 94 446.294 4

Analogs

9674813
9674813
9674814
9674814
9674818
9674818
18162370
18162370

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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) 3.15 5.96 -15.14 1 8 0 94 456.3 5
Ref Reference (pH 7) 3.15 6.97 -21.75 1 8 0 94 456.3 5
Ref Reference (pH 7) 3.15 6.3 -14.83 1 8 0 94 456.3 5

Analogs

9835817
9835817
9835819
9835819
18162375
18162375

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) 3.99 6.32 -13.3 1 8 0 94 487.13 4

Analogs

9835788
9835788
9835789
9835789
18153992
18153992
18162381
18162381

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) 2.71 5.98 -24.2 1 8 0 94 418.24 4

Analogs

2787259
2787259
18162383
18162383
18189049
18189049

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) 2.01 4.98 -17.54 1 8 0 94 381.367 4
Ref Reference (pH 7) 2.01 5.65 -25.37 1 8 0 94 381.367 4
Ref Reference (pH 7) 2.01 4.64 -18.3 1 8 0 94 381.367 4

Analogs

9674624
9674624
9674626
9674626
9836046
9836046
18162387
18162387

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) 3.02 -1.3 -21.85 1 8 0 94 411.849 5

Analogs

9674680
9674680
18162389
18162389

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) 2.68 5.54 -15.06 1 8 0 94 442.273 4
Ref Reference (pH 7) 2.68 6.2 -22.07 1 8 0 94 442.273 4
Ref Reference (pH 7) 2.68 5.19 -15.48 1 8 0 94 442.273 4

Parameters Provided:

ring.id = 4106
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 = 4106 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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