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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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) 2.62 8.98 -71.5 1 8 -1 116 419.413 6
Lo Low (pH 4.5-6) 2.62 7.69 -29.18 2 8 0 113 420.421 6

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.62 8.76 -71.7 1 8 -1 116 419.413 6
Lo Low (pH 4.5-6) 2.62 7.47 -29.29 2 8 0 113 420.421 6

Analogs

9507828
9507828

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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 8.81 -63.88 1 8 -1 116 419.413 5
Lo Low (pH 4.5-6) 2.69 7.52 -24.2 2 8 0 113 420.421 5

Analogs

9507828
9507828

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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 8.75 -63.26 1 8 -1 116 419.413 5
Lo Low (pH 4.5-6) 2.69 7.46 -23.56 2 8 0 113 420.421 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) 3.07 9.66 -71.05 1 8 -1 116 433.44 6
Lo Low (pH 4.5-6) 3.07 8.36 -28.75 2 8 0 113 434.448 6

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 9.51 -70.85 1 8 -1 116 433.44 6
Lo Low (pH 4.5-6) 3.07 8.21 -28.46 2 8 0 113 434.448 6

Analogs

9244009
9244009

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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) 4.06 11.81 -46.23 0 7 -1 96 429.452 7
Lo Low (pH 4.5-6) 4.06 10.67 -20 1 7 0 93 430.46 7

Analogs

9244009
9244009

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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) 4.06 11.84 -46.6 0 7 -1 96 429.452 7
Lo Low (pH 4.5-6) 4.06 10.71 -19.82 1 7 0 93 430.46 7

Analogs

8996942
8996942

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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) 4.29 12.5 -62.97 0 7 -1 96 431.468 7
Lo Low (pH 4.5-6) 4.29 11.21 -22.54 1 7 0 93 432.476 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) 4.29 12.44 -53.87 0 7 -1 96 431.468 7
Lo Low (pH 4.5-6) 4.29 11.15 -18.38 1 7 0 93 432.476 7

Analogs

9507828
9507828

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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) 3.00 10.77 -66.56 0 8 -1 105 433.44 6
Lo Low (pH 4.5-6) 3.00 9.47 -26.23 1 8 0 102 434.448 6

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 10.72 -65.75 0 8 -1 105 433.44 6
Lo Low (pH 4.5-6) 3.00 9.42 -25.44 1 8 0 102 434.448 6

Analogs

8996615
8996615

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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 8.25 -58.34 1 8 -1 116 423.376 5
Lo Low (pH 4.5-6) 2.41 6.96 -23.07 2 8 0 113 424.384 5

Analogs

8996615
8996615

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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 8.14 -58.1 1 8 -1 116 423.376 5
Lo Low (pH 4.5-6) 2.41 6.84 -22.78 2 8 0 113 424.384 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) 2.78 8.93 -65.7 1 8 -1 116 437.403 6
Lo Low (pH 4.5-6) 2.78 7.64 -27.83 2 8 0 113 438.411 6

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 8.84 -65.08 1 8 -1 116 437.403 6
Lo Low (pH 4.5-6) 2.78 7.55 -27.32 2 8 0 113 438.411 6

Analogs

8856316
8856316

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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) 3.77 11.31 -61.28 0 8 -1 105 447.467 8
Lo Low (pH 4.5-6) 3.77 10.02 -23.09 1 8 0 102 448.475 8

Analogs

8856316
8856316

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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) 3.77 11.32 -52.36 0 8 -1 105 447.467 8
Lo Low (pH 4.5-6) 3.77 10.02 -19 1 8 0 102 448.475 8

Analogs

8895044
8895044

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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 11.41 -45.04 0 8 -1 105 459.478 9
Lo Low (pH 4.5-6) 4.04 10.28 -20.59 1 8 0 102 460.486 9

Analogs

8895044
8895044

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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 11.45 -45.38 0 8 -1 105 459.478 9
Lo Low (pH 4.5-6) 4.04 10.32 -20.37 1 8 0 102 460.486 9

Analogs

8893910
8893910

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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) 4.27 12.11 -61.34 0 8 -1 105 461.494 9
Lo Low (pH 4.5-6) 4.27 10.81 -23.03 1 8 0 102 462.502 9

Analogs

8893910
8893910

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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) 4.27 12.11 -52.13 0 8 -1 105 461.494 9
Lo Low (pH 4.5-6) 4.27 10.82 -18.75 1 8 0 102 462.502 9

Analogs

8738641
8738641

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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 10.75 -46.54 0 9 -1 114 477.493 9
Lo Low (pH 4.5-6) 3.36 9.62 -21.83 1 9 0 111 478.501 9

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 10.76 -46.56 0 9 -1 114 477.493 9
Lo Low (pH 4.5-6) 3.36 9.63 -22.47 1 9 0 111 478.501 9

Analogs

13003337
13003337

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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) 3.40 10.18 -62.47 0 8 -1 105 433.44 6
Lo Low (pH 4.5-6) 3.40 8.89 -23.6 1 8 0 102 434.448 6

Analogs

13003337
13003337

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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) 3.40 10.12 -52.81 0 8 -1 105 433.44 6
Lo Low (pH 4.5-6) 3.40 8.82 -18.7 1 8 0 102 434.448 6

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.27 11.9 -62.11 0 8 -1 105 461.494 8
Lo Low (pH 4.5-6) 4.27 10.61 -23.21 1 8 0 102 462.502 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) 4.27 11.82 -52.49 0 8 -1 105 461.494 8
Lo Low (pH 4.5-6) 4.27 10.53 -18.31 1 8 0 102 462.502 8

Analogs

8827592
8827592

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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) 2.99 9.62 -47.13 0 9 -1 114 463.466 7
Lo Low (pH 4.5-6) 2.99 8.49 -22.98 1 9 0 111 464.474 7

Analogs

8827592
8827592

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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) 2.99 9.64 -47.43 0 9 -1 114 463.466 7
Lo Low (pH 4.5-6) 2.99 8.51 -22.88 1 9 0 111 464.474 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) 3.36 10.75 -63.36 0 9 -1 114 477.493 8
Lo Low (pH 4.5-6) 3.36 9.46 -25.55 1 9 0 111 478.501 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) 3.36 10.72 -61.11 0 9 -1 114 477.493 8
Lo Low (pH 4.5-6) 3.36 9.42 -23.17 1 9 0 111 478.501 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) 2.97 9.58 -44.08 0 10 -1 123 493.492 8
Lo Low (pH 4.5-6) 2.97 8.45 -25.74 1 10 0 121 494.5 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) 2.97 9.58 -47.39 0 10 -1 123 493.492 8
Lo Low (pH 4.5-6) 2.97 8.45 -23.68 1 10 0 121 494.5 8

Analogs

9009104
9009104

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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) 3.57 10.21 -44.07 0 7 -1 96 423.832 5
Lo Low (pH 4.5-6) 3.57 9.08 -21.56 1 7 0 93 424.84 5

Analogs

9009104
9009104

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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) 3.57 10.23 -44.27 0 7 -1 96 423.832 5
Lo Low (pH 4.5-6) 3.57 9.1 -21.24 1 7 0 93 424.84 5

Analogs

9009104
9009104

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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) 4.02 10.88 -44.39 0 7 -1 96 437.859 5
Lo Low (pH 4.5-6) 4.02 9.76 -21.49 1 7 0 93 438.867 5

Analogs

9009104
9009104

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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) 4.02 10.9 -44.6 0 7 -1 96 437.859 5
Lo Low (pH 4.5-6) 4.02 9.77 -21.23 1 7 0 93 438.867 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) 3.09 7.35 -47.59 1 8 -1 116 439.831 5
Lo Low (pH 4.5-6) 3.09 6.22 -25.04 2 8 0 113 440.839 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) 3.09 7.36 -47.77 1 8 -1 116 439.831 5
Lo Low (pH 4.5-6) 3.09 6.23 -24.52 2 8 0 113 440.839 5

Analogs

8827797
8827797

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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 7.49 -45.54 1 9 -1 125 469.857 6
Lo Low (pH 4.5-6) 2.91 6.36 -24.25 2 9 0 122 470.865 6

Analogs

8827797
8827797

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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 7.52 -45.42 1 9 -1 125 469.857 6
Lo Low (pH 4.5-6) 2.91 6.39 -23.56 2 9 0 122 470.865 6

Analogs

8996867
8996867

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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) 3.28 8.82 -69.23 1 9 -1 125 483.884 7
Lo Low (pH 4.5-6) 3.28 7.52 -31.18 2 9 0 122 484.892 7

Analogs

8996867
8996867

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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) 3.28 8.46 -59.34 1 9 -1 125 483.884 7
Lo Low (pH 4.5-6) 3.28 7.17 -23.26 2 9 0 122 484.892 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) 3.58 9.78 -44.3 0 8 -1 105 453.858 6
Lo Low (pH 4.5-6) 3.58 8.63 -23.8 1 8 0 102 454.866 6

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 10.97 -43.02 0 8 -1 105 453.858 6
Lo Low (pH 4.5-6) 3.58 9.84 -21.94 1 8 0 102 454.866 6

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.62 10.01 -61.91 0 8 -1 105 453.858 6
Lo Low (pH 4.5-6) 3.62 8.71 -25.59 1 8 0 102 454.866 6

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.62 9.95 -50.18 0 8 -1 105 453.858 6
Lo Low (pH 4.5-6) 3.62 8.65 -18.17 1 8 0 102 454.866 6

Analogs

35521049
35521049
35521051
35521051

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.00 10.93 -61.7 0 8 -1 105 467.885 7
Lo Low (pH 4.5-6) 4.00 9.64 -25.4 1 8 0 102 468.893 7

Analogs

35521049
35521049
35521051
35521051

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.00 10.87 -49.95 0 8 -1 105 467.885 7
Lo Low (pH 4.5-6) 4.00 9.58 -18.01 1 8 0 102 468.893 7

Parameters Provided:

ring.id = 13516
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 = 13516 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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