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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.62 5.23 -38.82 1 4 0 54 213.277 3

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.62 5.23 -39.18 1 4 0 54 213.277 3

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.46 5.14 -45.7 1 4 0 54 199.25 2
Hi High (pH 8-9.5) 0.46 2.72 -46.64 0 4 -1 53 198.242 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) 0.46 5.08 -46.27 1 4 0 54 199.25 2
Hi High (pH 8-9.5) 0.46 2.73 -45.12 0 4 -1 53 198.242 2

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.71 5.64 -46.95 1 4 0 54 213.277 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) 0.71 5.62 -46.53 1 4 0 54 213.277 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) 1.04 6.14 -43.05 1 4 0 54 227.304 3

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.04 6.09 -45.68 1 4 0 54 227.304 3

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.94 5.64 -47 1 4 0 54 213.277 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) 0.94 5.72 -45.78 1 4 0 54 213.277 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) 0.47 1.86 -29.78 2 3 1 34 186.275 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) 0.47 1.91 -30.39 2 3 1 34 186.275 2

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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) 1.02 3.04 -34.49 2 3 1 34 214.329 4

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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) 1.02 2.99 -32.79 2 3 1 34 214.329 4

Analogs

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Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.20 1.3 -33.83 2 3 1 34 172.248 1

Analogs

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Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.20 1.3 -33.54 2 3 1 34 172.248 1

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Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.09 0.96 -40.45 3 3 1 40 185.291 2
Mid Mid (pH 6-8) -0.09 1.93 -30.99 3 3 1 40 185.291 2
Mid Mid (pH 6-8) -0.09 2.31 -112.37 4 3 2 41 186.299 2

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.45 3.75 -96.34 4 3 2 41 214.353 4
Hi High (pH 8-9.5) 0.45 1.49 -44.24 3 3 1 40 213.345 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) 0.45 3.46 -96.8 4 3 2 41 214.353 4
Hi High (pH 8-9.5) 0.45 1.36 -45.9 3 3 1 40 213.345 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) -0.26 1.32 -92.85 4 4 2 45 229.368 3
Mid Mid (pH 6-8) -0.26 -1.36 -44.02 3 4 1 43 228.36 3

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.26 1.24 -99.95 4 4 2 45 229.368 3
Mid Mid (pH 6-8) -0.26 -1.15 -44.38 3 4 1 43 228.36 3

Analogs

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.49 2.26 -102.07 4 4 2 45 257.422 5
Mid Mid (pH 6-8) 0.49 0.16 -44.15 3 4 1 43 256.414 5

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.49 2.42 -99.72 4 4 2 45 257.422 5
Mid Mid (pH 6-8) 0.49 0.3 -44.43 3 4 1 43 256.414 5

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 1.28 -42.13 3 3 1 40 213.345 3
Mid Mid (pH 6-8) 0.86 3.15 -30.88 3 3 1 40 213.345 3
Mid Mid (pH 6-8) 0.86 3.51 -120.55 4 3 2 41 214.353 3

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 1.9 -43.21 3 3 1 40 213.345 3
Mid Mid (pH 6-8) 0.86 3.83 -120.44 4 3 2 41 214.353 3
Mid Mid (pH 6-8) 0.86 3.44 -30.23 3 3 1 40 213.345 3

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 1.88 -43.63 3 3 1 40 213.345 3
Mid Mid (pH 6-8) 0.86 3.83 -121.02 4 3 2 41 214.353 3
Mid Mid (pH 6-8) 0.86 3.46 -30.1 3 3 1 40 213.345 3

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 1.27 -42.46 3 3 1 40 213.345 3
Mid Mid (pH 6-8) 0.86 3.16 -30.9 3 3 1 40 213.345 3
Mid Mid (pH 6-8) 0.86 3.51 -120.97 4 3 2 41 214.353 3

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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) 1.42 2.05 -42.08 3 3 1 40 227.372 4
Mid Mid (pH 6-8) 1.42 4.28 -120.91 4 3 2 41 228.38 4
Mid Mid (pH 6-8) 1.42 5.03 -28.36 3 3 1 40 227.372 4

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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) 1.42 2.67 -43.33 3 3 1 40 227.372 4
Mid Mid (pH 6-8) 1.42 4.13 -28.44 3 3 1 40 227.372 4
Mid Mid (pH 6-8) 1.42 4.6 -120.94 4 3 2 41 228.38 4

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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) 1.42 2.65 -43.83 3 3 1 40 227.372 4
Mid Mid (pH 6-8) 1.42 4.17 -28.37 3 3 1 40 227.372 4
Mid Mid (pH 6-8) 1.42 4.6 -121.63 4 3 2 41 228.38 4

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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) 1.42 2.05 -42.53 3 3 1 40 227.372 4
Mid Mid (pH 6-8) 1.42 5.03 -28.33 3 3 1 40 227.372 4
Mid Mid (pH 6-8) 1.42 4.29 -121.55 4 3 2 41 228.38 4

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.36 0.46 -42.21 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.36 2.68 -119.93 4 3 2 41 200.326 2
Mid Mid (pH 6-8) 0.36 2.33 -30.76 3 3 1 40 199.318 2

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.36 1.07 -43.28 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.36 2.61 -30.06 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.36 3 -119.76 4 3 2 41 200.326 2

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.36 1.05 -43.5 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.36 2.64 -29.96 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.36 3 -119.89 4 3 2 41 200.326 2

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.36 0.45 -42.43 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.36 2.32 -30.76 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.36 2.68 -119.99 4 3 2 41 200.326 2

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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) 1.31 4.83 -115.14 4 3 2 41 228.38 3
Hi High (pH 8-9.5) 1.31 3.81 -1.74 2 3 0 38 226.364 3
Mid Mid (pH 6-8) 1.31 4 -46.71 3 3 1 40 227.372 3

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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) 1.31 3.99 -121.25 4 3 2 41 228.38 3
Hi High (pH 8-9.5) 1.31 1.71 -1.47 2 3 0 38 226.364 3
Mid Mid (pH 6-8) 1.31 2.06 -43.23 3 3 1 40 227.372 3

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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) 1.31 4.03 -116.45 4 3 2 41 228.38 3
Hi High (pH 8-9.5) 1.31 1.64 -2.53 2 3 0 38 226.364 3
Mid Mid (pH 6-8) 1.31 1.76 -44.8 3 3 1 40 227.372 3

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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) 1.31 4.53 -117.51 4 3 2 41 228.38 3
Hi High (pH 8-9.5) 1.31 4.44 -1.42 2 3 0 38 226.364 3
Mid Mid (pH 6-8) 1.31 4.13 -46.79 3 3 1 40 227.372 3

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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) 1.10 4.04 -121.51 4 3 2 41 228.38 3
Mid Mid (pH 6-8) 1.10 4.79 -28.3 3 3 1 40 227.372 3
Mid Mid (pH 6-8) 1.10 1.82 -42.36 3 3 1 40 227.372 3

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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) 1.10 4.42 -121.35 4 3 2 41 228.38 3
Mid Mid (pH 6-8) 1.10 3.95 -28.54 3 3 1 40 227.372 3
Mid Mid (pH 6-8) 1.10 2.49 -42.93 3 3 1 40 227.372 3

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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) 1.10 4.37 -122.11 4 3 2 41 228.38 3
Mid Mid (pH 6-8) 1.10 3.94 -28.52 3 3 1 40 227.372 3
Mid Mid (pH 6-8) 1.10 2.42 -43.95 3 3 1 40 227.372 3

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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) 1.10 4.11 -122.38 4 3 2 41 228.38 3
Mid Mid (pH 6-8) 1.10 1.88 -42.72 3 3 1 40 227.372 3
Mid Mid (pH 6-8) 1.10 4.84 -28.32 3 3 1 40 227.372 3

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.80 3.24 -121.08 4 3 2 41 214.353 2
Hi High (pH 8-9.5) 0.80 0.48 -2.25 2 3 0 38 212.337 2
Mid Mid (pH 6-8) 0.80 2.81 -28.13 3 3 1 40 213.345 2

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.80 3.37 -115.58 4 3 2 41 214.353 2
Hi High (pH 8-9.5) 0.80 1.17 -2.84 2 3 0 38 212.337 2
Mid Mid (pH 6-8) 0.80 1.08 -44.79 3 3 1 40 213.345 2

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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) 1.19 3.93 -119.16 4 3 2 41 228.38 3
Hi High (pH 8-9.5) 1.19 1.29 -1.78 2 3 0 38 226.364 3
Mid Mid (pH 6-8) 1.19 1.95 -42.64 3 3 1 40 227.372 3

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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) 1.19 4.28 -119.26 4 3 2 41 228.38 3
Hi High (pH 8-9.5) 1.19 2.16 -1.3 2 3 0 38 226.364 3
Mid Mid (pH 6-8) 1.19 2.53 -43.56 3 3 1 40 227.372 3

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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) 1.19 4.3 -119.87 4 3 2 41 228.38 3
Hi High (pH 8-9.5) 1.19 2.1 -1.28 2 3 0 38 226.364 3
Mid Mid (pH 6-8) 1.19 2.52 -43.96 3 3 1 40 227.372 3

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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) 1.19 3.91 -119.49 4 3 2 41 228.38 3
Hi High (pH 8-9.5) 1.19 1.27 -1.77 2 3 0 38 226.364 3
Mid Mid (pH 6-8) 1.19 1.91 -43.07 3 3 1 40 227.372 3

Analogs

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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) 0.69 3.15 -109.28 4 3 2 41 214.353 2
Hi High (pH 8-9.5) 0.69 0.81 -2.47 2 3 0 38 212.337 2
Mid Mid (pH 6-8) 0.69 1.14 -39.88 3 3 1 40 213.345 2

Parameters Provided:

ring.id = 262427
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 = 262427 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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