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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Betaine aldehyde Betaine aldehyde

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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) -4.36 3.37 -29.26 0 2 0 23 101.149 1 ↓

Analogs

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Popular Name: D-myo-inositol 1,3,4-tris-phosphate ammonium salt D-myo-inositol 1,3,4-tris-phosph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.71 -8.24 -464.02 4 15 -5 275 415.053 6 ↓

Analogs

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Popular Name: 3-[(2E)-2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-p 3-[(2E)-2-[[3-(2-carboxyethyl)-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

Analogs

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Popular Name: sphingosine-1-phosphocholine sphingosine-1-phosphocholine

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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

Analogs

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Popular Name: Homocysteinesulfinic acid Homocysteinesulfinic acid

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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
Hi High (pH 8-9.5) -4.75 -2.12 -102.33 2 5 -2 106 165.17 4 ↓

Analogs

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Popular Name: Homocysteinesulfinic acid Homocysteinesulfinic acid

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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
Hi High (pH 8-9.5) -4.75 -2.18 -104.91 2 5 -2 106 165.17 4 ↓

Analogs

19851552
19851552

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Popular Name: 4-Nitrobenzene-1,3-diol 4-Nitrobenzene-1,3-diol

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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) 1.13 1.33 -46.2 1 5 -1 89 154.101 1 ↓
Mid Mid (pH 6-8) 1.13 1.09 -36.85 1 5 -1 89 154.101 1 ↓
Mid Mid (pH 6-8) 1.13 0.31 -17.5 2 5 0 86 155.109 1 ↓

Analogs

4899557
4899557
4899760
4899760
13541443
13541443

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Popular Name: Enterostatin, human Enterostatin, human

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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 3.59 -114.65 10 14 1 230 497.577 12 ↓
Hi High (pH 8-9.5) -4.96 3.26 -86.63 9 14 0 229 496.569 12 ↓
Hi High (pH 8-9.5) -5.01 3.26 -86.8 9 14 0 231 496.569 11 ↓

Analogs

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Popular Name: Allyl isothiocyanate Allyl isothiocyanate

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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 3.02 -27.34 1 1 1 14 100.166 2 ↓
Mid Mid (pH 6-8) 2.25 2.45 -1.96 0 1 0 12 99.158 2 ↓

Analogs

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Popular Name: Balenine Balenine

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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

Analogs

3650383
3650383

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Popular Name: Homoanserine Homoanserine

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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) -4.18 2.53 -78.44 4 7 0 115 254.29 7 ↓
Mid Mid (pH 6-8) -4.18 3.04 -107.96 5 7 1 116 255.298 7 ↓

Analogs

13523524
13523524
13523529
13523529
13523533
13523533

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Popular Name: Protirelin Protirelin

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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) -2.03 0.18 -23.59 5 10 0 150 362.39 6 ↓
Mid Mid (pH 6-8) -2.03 0.01 -48.98 6 10 1 152 363.398 6 ↓
Mid Mid (pH 6-8) -1.91 -8.71 -54.13 6 10 1 160 363.398 6 ↓

Analogs

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Popular Name: dioleoyl phosphatidylethanolamine dioleoyl phosphatidylethanolamine

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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
Hi High (pH 8-9.5) 9.83 27.1 -51.58 2 9 -1 137 743.04 41 ↓

Analogs

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Popular Name: PE(18:0/18:0) PE(18:0/18:0)

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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

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Popular Name: PE(16:0/16:0) PE(16:0/16:0)

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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
Hi High (pH 8-9.5) 9.65 24.57 -50.89 2 9 -1 137 690.964 39 ↓

Analogs

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Popular Name: 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine; 1,2-dipalmitoyl-3-phosphatidylethanolamine; 1,2-dipalmitoyl-rac-glycerophosphoethanolamine; C37H74NO8P; DHPE; DPPE; Hexadecanoic acid, 1-((((2-aminoethoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethanediyl ester 1,2-dihexadecyl-sn-glycero-3-pho…

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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

Analogs

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Popular Name: PE(14:0/14:0) PE(14:0/14:0)

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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

Analogs

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Popular Name: phosphatidyl ethanolamine phosphatidyl ethanolamine

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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

Analogs

21984495
21984495
22061272
22061272
22061274
22061274
23586802
23586802
23586806
23586806

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Popular Name: Topiramate Topiramate

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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) 0.16 -1.52 -44.79 1 9 -1 113 338.358 3 ↓
Mid Mid (pH 6-8) 0.16 -2 -12.26 2 9 0 116 339.366 3 ↓

Analogs

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Popular Name: Pi-Methylimidazoleacetic acid Pi-Methylimidazoleacetic acid

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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) -1.18 4.01 -48.87 0 4 -1 58 139.134 2 ↓
Mid Mid (pH 6-8) -1.18 4.53 -50.01 1 4 0 59 140.142 2 ↓

Analogs

4949559
4949559

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Popular Name: 1-{4-nitrophenyl}-3-phenyl-1H-pyrazol-5-ol 1-{4-nitrophenyl}-3-phenyl-1H-py…

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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) 2.96 8.88 -10.05 0 6 0 78 281.271 3 ↓
Mid Mid (pH 6-8) 3.20 6.72 -8.95 1 6 0 84 281.271 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(o)-Hydroxyarginine N-(o)-Hydroxyarginine

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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) -3.70 -0.69 -76.52 8 7 1 140 191.211 6 ↓
Hi High (pH 8-9.5) -3.70 -1.05 -46.42 6 7 -1 137 189.195 6 ↓
Hi High (pH 8-9.5) -3.70 -0.97 -54 7 7 0 138 190.203 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Phosphonoacetic acid Phosphonoacetic acid

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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

Analogs

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Popular Name: Imidazole-4-acetaldehyde Imidazole-4-acetaldehyde

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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) 0.16 2.54 -11.4 1 3 0 46 110.116 2 ↓
Mid Mid (pH 6-8) 0.16 3.02 -39.31 2 3 1 47 111.124 2 ↓
Mid Mid (pH 6-8) 0.17 2.93 -38.69 2 3 1 47 111.124 2 ↓

Analogs

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Popular Name: acetaldehyde oxime acetaldehyde 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) 0.24 -0.76 -4.58 1 2 0 33 59.068 0 ↓
Ref Reference (pH 7) 0.51 -0.44 -1.6 0 2 0 29 59.068 1 ↓

Analogs

12496167
12496167
25758733
25758733
62613203
62613203
62613207
62613207
62613214
62613214

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Popular Name: 2'-Deoxyinosine-5'-triphosphate trisodium salt 2'-Deoxyinosine-5'-triphosphate …

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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

Analogs

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Popular Name: IDP IDP

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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

Analogs

8579422
8579422
9915770
9915770
9915771
9915771
13508244
13508244
13522679
13522679

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Popular Name: Sedoheptulose Sedoheptulose

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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 -9.61 -14.04 6 7 0 138 210.182 6 ↓
Ref Reference (pH 7) -3.92 -9.66 -17.17 6 7 0 138 210.182 6 ↓
Hi High (pH 8-9.5) -3.92 -8.91 -59.59 5 7 -1 141 209.174 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: protoporphyrin ix protoporphyrin ix

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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) 7.70 18.94 -122.76 4 8 0 140 562.67 8 ↓
Ref Reference (pH 7) 7.70 18.93 -122.4 4 8 0 140 562.67 8 ↓
Ref Reference (pH 7) 7.70 18.9 -121.53 4 8 0 140 562.67 8 ↓

Analogs

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Popular Name: trimethylBLAHdiol trimethylBLAHdiol

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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 4.87 -7.75 3 4 0 69 344.499 0 ↓
Mid Mid (pH 6-8) 3.51 4.83 -7.46 3 4 0 69 344.499 0 ↓

Analogs

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Popular Name: trimethylBLAHdiol trimethylBLAHdiol

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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 4.76 -7.83 3 4 0 69 344.499 0 ↓
Mid Mid (pH 6-8) 3.51 4.74 -7.01 3 4 0 69 344.499 0 ↓

Analogs

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Popular Name: trimethylBLAHdiol trimethylBLAHdiol

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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 4.76 -7.9 3 4 0 69 344.499 0 ↓
Mid Mid (pH 6-8) 3.51 4.77 -7.3 3 4 0 69 344.499 0 ↓

Analogs

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Popular Name: 1-Methyluric acid 1-Methyluric acid

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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 -3.71 -97.6 1 7 -2 110 180.123 0 ↓
Mid Mid (pH 6-8) 0.03 -2.56 -32.5 2 7 -1 107 181.131 0 ↓
Lo Low (pH 4.5-6) -0.43 -1.33 -10.96 3 7 0 104 182.139 0 ↓

Analogs

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Popular Name: 2-(1-Methyl-1H-imidazol-4-yl)acetic acid 2-(1-Methyl-1H-imidazol-4-yl)ace…

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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

Analogs

8218947
8218947
8218951
8218951

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Popular Name: PC(18:1(9Z)/0:0) PC(18:1(9Z)/0:0)

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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) 2.28 17.05 -50.76 1 8 0 105 521.676 25 ↓

Analogs

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Popular Name: PC(18:1(9Z)/0:0)[rac] PC(18:1(9Z)/0:0)[rac]

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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

Analogs

1531008
1531008

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Popular Name: (2S,3S,4S,5R)-2,3,4,5-Tetrahydroxy-6-oxohexanoic acid (2S,3S,4S,5R)-2,3,4,5-Tetrahydro…

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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) -2.77 -5.54 -49.93 4 7 -1 138 193.131 5 ↓
Ref Reference (pH 7) -2.77 -5.47 -49.2 4 7 -1 138 193.131 5 ↓
Ref Reference (pH 7) -2.77 -4.49 -49.62 4 7 -1 138 193.131 5 ↓

Analogs

39945935
39945935
19721276
19721276
15657739
15657739

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Popular Name: SNMPP SNMPP

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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) 8.17 19.28 -125.84 4 8 0 140 566.702 8 ↓

Analogs

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Popular Name: DL-2,4-Diaminobutyric acid dihydrochloride DL-2,4-Diaminobutyric acid dihyd…

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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
Hi High (pH 8-9.5) 2.50 6.11 -84.93 6 7 2 107 475.637 8 ↓

Analogs

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Popular Name: 8-iso-15-keto-PGE2 8-iso-15-keto-PGE2

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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) 2.68 9.66 -55.02 1 5 -1 94 349.447 12 ↓
Lo Low (pH 4.5-6) 2.68 7.83 -15.32 2 5 0 92 350.455 12 ↓
Lo Low (pH 4.5-6) 2.68 7.85 -13.45 2 5 0 92 350.455 12 ↓

Analogs

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Popular Name: 8-iso-15-keto-PGE2 8-iso-15-keto-PGE2

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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) 2.68 9.89 -60.18 1 5 -1 94 349.447 12 ↓
Lo Low (pH 4.5-6) 2.68 7.9 -13.7 2 5 0 92 350.455 12 ↓
Lo Low (pH 4.5-6) 2.68 7.91 -16.4 2 5 0 92 350.455 12 ↓

Analogs

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Popular Name: 3-(1H-Imidazol-4-yl)propanoic acid 3-(1H-Imidazol-4-yl)propanoic acid

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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

Analogs

44201275
44201275
33954689
33954689
3870265
3870265

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Popular Name: Urocanic acid Urocanic acid

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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) -0.04 4.56 -63.35 2 4 0 70 138.126 2 ↓
Hi High (pH 8-9.5) -0.04 4.11 -57.54 1 4 -1 69 137.118 2 ↓

Analogs

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Popular Name: Geranyl-PP Geranyl-PP

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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

Analogs

12495403
12495403
8216889
8216889

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Popular Name: (R)-Mevalonic acid-5-pyrophosphate (R)-Mevalonic acid-5-pyrophosphate

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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

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Popular Name: Ranitidine Hydrochloride Ranitidine 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

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Popular Name: CDP CDP

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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

Analogs

13434879
13434879
13434881
13434881
13434883
13434883
13434884
13434884
8215662
8215662

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Popular Name: DATP DATP

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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

Analogs

8215662
8215662

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Popular Name: 2'-Deoxyadenosine-5'-triphosphate disodium salt 2'-Deoxyadenosine-5'-triphosphat…

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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

Analogs

13434879
13434879
13434881
13434881
13434883
13434883
13434884
13434884
8215662
8215662

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Popular Name: DATP DATP

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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

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page.num = 1
catalog.name = hmdb
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 'hmdb' 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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