UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: JWH 200 7-hydroxyindole metabolite JWH 200 7-hydroxyindole metabolite

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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) 4.38 8.56 -13.44 1 5 0 55 400.478 5 ↓
Lo Low (pH 4.5-6) 4.38 10.83 -52.8 2 5 1 56 401.486 5 ↓

Analogs

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Popular Name: AM2201 N-(3-fluoropentyl) isomer AM2201 N-(3-fluoropentyl) isomer

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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) 6.20 15.21 -12.89 0 2 0 22 359.444 6 ↓

Analogs

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Popular Name: AM2201 N-(3-fluoropentyl) isomer AM2201 N-(3-fluoropentyl) isomer

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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) 6.20 15.21 -13.11 0 2 0 22 359.444 6 ↓

Analogs

42966603
42966603

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Popular Name: JWH 210 5-ethylnaphthyl isomer JWH 210 5-ethylnaphthyl isomer

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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) 7.58 16.43 -11.85 0 2 0 22 369.508 7 ↓

Analogs

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Popular Name: JWH 018 N-(3-hydroxypentyl) metabolite JWH 018 N-(3-hydroxypentyl) meta…

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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) 5.27 11.92 -13.04 1 3 0 42 357.453 6 ↓

Analogs

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Popular Name: JWH 018 N-(3-hydroxypentyl) metabolite JWH 018 N-(3-hydroxypentyl) meta…

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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) 5.27 11.92 -13.13 1 3 0 42 357.453 6 ↓

Analogs

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Popular Name: JWH 398 7-chloronaphthyl isomer JWH 398 7-chloronaphthyl isomer

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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) 7.37 15.66 -12.72 0 2 0 22 375.899 6 ↓

Analogs

42966603
42966603

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Popular Name: JWH 122 5-methylnaphthyl isomer JWH 122 5-methylnaphthyl isomer

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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) 7.11 15.69 -12.14 0 2 0 22 355.481 6 ↓

Analogs

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Popular Name: JWH 018 N-(1,1-dimethylpropyl) isomer JWH 018 N-(1,1-dimethylpropyl) i…

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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) 6.46 13.95 -11.97 0 2 0 22 341.454 4 ↓

Analogs

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Popular Name: bk-DMBDB (hydrochloride) bk-DMBDB (hydrochloride)

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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) 2.25 6.29 -42.64 1 4 1 40 236.291 4 ↓
Mid Mid (pH 6-8) 2.25 4.44 -9.64 0 4 0 39 235.283 4 ↓

Analogs

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Popular Name: bk-DMBDB (hydrochloride) bk-DMBDB (hydrochloride)

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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) 2.25 6.26 -42.52 1 4 1 40 236.291 4 ↓
Mid Mid (pH 6-8) 2.25 4.37 -9.73 0 4 0 39 235.283 4 ↓

Analogs

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Popular Name: JWH 398 2-chloronaphthyl isomer JWH 398 2-chloronaphthyl isomer

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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) 7.34 15.62 -13.36 0 2 0 22 375.899 6 ↓

Analogs

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Popular Name: JWH 122 3-methylnaphthyl isomer JWH 122 3-methylnaphthyl isomer

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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) 7.11 15.81 -12.01 0 2 0 22 355.481 6 ↓

Analogs

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Popular Name: bk-MDDMA (hydrochloride) bk-MDDMA (hydrochloride)

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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) 1.71 5.52 -42.23 1 4 1 40 222.264 3 ↓
Mid Mid (pH 6-8) 1.71 3.15 -9.77 0 4 0 39 221.256 3 ↓

Analogs

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Popular Name: bk-MDDMA (hydrochloride) bk-MDDMA (hydrochloride)

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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) 1.71 5.5 -42.17 1 4 1 40 222.264 3 ↓
Mid Mid (pH 6-8) 1.71 2.92 -9.64 0 4 0 39 221.256 3 ↓

Analogs

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Popular Name: CP 47,497 C-7-hydroxy metabolite CP 47,497 C-7-hydroxy metabolite

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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 4.77 -6.84 3 3 0 61 334.5 8 ↓

Analogs

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Popular Name: JWH 210 8-ethylnaphthyl isomer JWH 210 8-ethylnaphthyl isomer

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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) 7.58 15.97 -11.53 0 2 0 22 369.508 7 ↓

Analogs

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Popular Name: JWH 398 6-chloronaphthyl isomer JWH 398 6-chloronaphthyl isomer

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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) 7.37 15.65 -10.87 0 2 0 22 375.899 6 ↓

Analogs

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Popular Name: JWH 210 N-(5-hydroxypentyl) metabolite JWH 210 N-(5-hydroxypentyl) meta…

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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) 6.05 13.09 -14.83 1 3 0 42 385.507 8 ↓

Analogs

60142381
60142381

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Popular Name: Biphenyl-4-carboxamidoxime, 97% Biphenyl-4-carboxamidoxime, 97%

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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) 2.05 4.78 -7.22 3 3 0 59 212.252 2 ↓
Lo Low (pH 4.5-6) 2.05 4.62 -32.68 4 3 1 60 213.26 2 ↓
Lo Low (pH 4.5-6) 2.05 4.52 -34.76 4 3 1 60 213.26 2 ↓

Analogs

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Popular Name: JWH 250 N-(4-hydroxypentyl) metabolite JWH 250 N-(4-hydroxypentyl) meta…

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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) 3.76 9.82 -17.6 1 4 0 51 351.446 8 ↓

Analogs

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Popular Name: JWH 250 N-(4-hydroxypentyl) metabolite JWH 250 N-(4-hydroxypentyl) meta…

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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) 3.76 9.83 -16.75 1 4 0 51 351.446 8 ↓

Analogs

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Popular Name: Garcinol Garcinol

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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) 7.94 16.22 -14.35 2 6 0 109 602.812 11 ↓
Hi High (pH 8-9.5) 7.94 17.15 -14.92 1 6 0 112 601.804 11 ↓

Analogs

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Popular Name: Garcinol Garcinol

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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) 7.94 15.87 -20.19 2 6 0 109 602.812 11 ↓
Hi High (pH 8-9.5) 7.94 16.81 -20.21 1 6 0 112 601.804 11 ↓

Analogs

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Popular Name: 4-Amino-benzamide oxime 4-Amino-benzamide oxime

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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) -0.67 -0.75 -7.2 5 4 0 85 151.169 1 ↓
Ref Reference (pH 7) -0.54 -0.91 -28.28 6 4 1 84 152.177 2 ↓
Ref Reference (pH 7) -0.67 -0.96 -7.66 5 4 0 85 151.169 1 ↓

Analogs

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Popular Name: 2-(Pyrrolidin-1-yl)-1-(p-tolyl)hexan-1-one 2-(Pyrrolidin-1-yl)-1-(p-tolyl)h…

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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 -35.01 1 2 1 22 260.401 6 ↓
Hi High (pH 8-9.5) 4.27 8.33 -6.05 0 2 0 20 259.393 6 ↓

Analogs

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Popular Name: 2-(Pyrrolidin-1-yl)-1-(p-tolyl)hexan-1-one 2-(Pyrrolidin-1-yl)-1-(p-tolyl)h…

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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 10.97 -34.96 1 2 1 22 260.401 6 ↓
Hi High (pH 8-9.5) 4.27 9.1 -6.94 0 2 0 20 259.393 6 ↓

Analogs

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Popular Name: JWH 018 epoxide JWH 018 epoxide

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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) 5.14 12.8 -16.2 0 3 0 35 355.437 6 ↓

Analogs

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Popular Name: JWH 018 epoxide JWH 018 epoxide

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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) 5.14 12.8 -15.99 0 3 0 35 355.437 6 ↓

Analogs

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Popular Name: JWH 200 6-hydroxyindole metabolite JWH 200 6-hydroxyindole metabolite

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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) 4.14 8.47 -13.59 1 5 0 55 400.478 5 ↓
Lo Low (pH 4.5-6) 4.14 10.75 -57.15 2 5 1 56 401.486 5 ↓

Analogs

42966603
42966603

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Popular Name: JWH 122 7-methylnaphthyl isomer JWH 122 7-methylnaphthyl isomer

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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) 7.14 15.81 -12.49 0 2 0 22 355.481 6 ↓

Analogs

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Popular Name: JWH 081 5-methoxynaphthyl isomer JWH 081 5-methoxynaphthyl isomer

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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) 6.72 14.51 -12.15 0 3 0 31 371.48 7 ↓

Analogs

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Popular Name: JWH 018 2'-naphthyl-N-(1,2-dimethylpropyl) isomer JWH 018 2'-naphthyl-N-(1,2-dimet…

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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 14.61 -12.26 0 2 0 22 341.454 4 ↓

Analogs

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Popular Name: JWH 018 2'-naphthyl-N-(1,2-dimethylpropyl) isomer JWH 018 2'-naphthyl-N-(1,2-dimet…

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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 14.62 -12.04 0 2 0 22 341.454 4 ↓

Analogs

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Popular Name: JWH 210 N-pentanoic acid metabolite JWH 210 N-pentanoic acid metabolite

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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) 5.93 16.35 -50.39 0 4 -1 62 398.482 8 ↓
Lo Low (pH 4.5-6) 5.93 14.37 -16.12 1 4 0 59 399.49 8 ↓

Analogs

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Popular Name: JWH 210 2-ethylnaphthyl isomer JWH 210 2-ethylnaphthyl isomer

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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) 7.58 16.5 -12.62 0 2 0 22 369.508 7 ↓

Analogs

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Popular Name: JWH 122 6-methylnaphthyl isomer JWH 122 6-methylnaphthyl isomer

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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) 7.14 15.81 -12.03 0 2 0 22 355.481 6 ↓

Analogs

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Popular Name: JWH 073 2-methylnaphthyl JWH 073 2-methylnaphthyl

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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) 6.61 14.96 -13.2 0 2 0 22 341.454 5 ↓

Analogs

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Popular Name: JWH 018 N-(1,2-dimethylpropyl) isomer JWH 018 N-(1,2-dimethylpropyl) i…

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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) 6.25 14.81 -11.73 0 2 0 22 341.454 4 ↓

Analogs

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Popular Name: JWH 018 N-(1,2-dimethylpropyl) isomer JWH 018 N-(1,2-dimethylpropyl) i…

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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) 6.25 14.81 -11.8 0 2 0 22 341.454 4 ↓

Analogs

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Popular Name: AM2201 N-(4-hydroxypentyl) metabolite AM2201 N-(4-hydroxypentyl) metab…

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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 12.01 -18.08 1 3 0 42 375.443 7 ↓

Analogs

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Popular Name: AM2201 N-(4-hydroxypentyl) metabolite AM2201 N-(4-hydroxypentyl) metab…

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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 12.01 -18.03 1 3 0 42 375.443 7 ↓

Analogs

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Popular Name: JWH 251 3-methyl isomer JWH 251 3-methyl isomer

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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) 5.85 14.42 -14.47 0 2 0 22 319.448 7 ↓

Analogs

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Popular Name: 2-NBDG 2-NBDG

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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 -6.62 -19.65 5 12 0 187 342.264 4 ↓

Analogs

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Popular Name: 2-NBDG 2-NBDG

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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 -6.65 -18.99 5 12 0 187 342.264 4 ↓

Analogs

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Popular Name: 2-NBDG 2-NBDG

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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 -6.16 -20.23 5 12 0 187 342.264 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-NBDG 2-NBDG

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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 -6.99 -20.3 5 12 0 187 342.264 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Thapsigargin Thapsigargin

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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) 6.36 15.61 -16.87 2 11 0 163 648.79 17 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Thapsigargin Thapsigargin

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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) 6.36 16.08 -15.93 2 11 0 163 648.79 17 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Thapsigargin Thapsigargin

Find On: PubMed — Wikipedia — Google

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) 6.36 15.68 -15.8 2 11 0 163 648.79 17 ↓

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page.format = targets
page.num = 1
catalog.name = cayman
filter.purchasability = purchasable

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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 'cayman' 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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