UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4'-MethoxyforManilide 4'-MethoxyforManilide

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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) 1.24 1.95 -10.12 1 3 0 38 151.165 2 ↓

Analogs

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Popular Name: 2-OXABICYCLO[2.2.2]OCTAN-3-ONE 2-OXABICYCLO[2.2.2]OCTAN-3-ONE

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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) 1.34 0.81 -8.55 0 2 0 26 126.155 0 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)formamide N-(4-chlorophenyl)formamide

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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) 1.86 3.18 -8.94 1 2 0 29 155.584 1 ↓

Analogs

39125670
39125670

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Popular Name: 4-Amino-2,6-dichlorophenol 4-Amino-2,6-dichlorophenol

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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) 2.01 0.62 -4.35 3 2 0 46 178.018 0 ↓
Hi High (pH 8-9.5) 2.01 1.37 -38.88 2 2 -1 49 177.01 0 ↓

Analogs

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Popular Name: 4-BroMostilbene 4-BroMostilbene

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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) 5.30 9.62 -2.81 0 0 0 0 259.146 2 ↓

Analogs

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Popular Name: 1-Bromo-4-styrylbenzene 1-Bromo-4-styrylbenzene

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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) 5.30 9.96 -3.41 0 0 0 0 259.146 2 ↓

Analogs

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Popular Name: 2-Methylstilbene 2-Methylstilbene

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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) 4.72 9.89 -3.7 0 0 0 0 194.277 2 ↓

Analogs

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Popular Name: 4-Methylstilbene 4-Methylstilbene

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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) 4.94 10.01 -3.65 0 0 0 0 194.277 2 ↓

Analogs

1592599
1592599

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Popular Name: 1-Styryl-naphthalene 1-Styryl-naphthalene

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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) 5.47 11.19 -4.29 0 0 0 0 230.31 2 ↓

Analogs

32098739
32098739

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Popular Name: 1-Styrylnaphthalene 1-Styrylnaphthalene

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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) 5.47 2.28 -5.21 1 0 0 0 230.31 0 ↓

Analogs

34319942
34319942
34453429
34453429
34453431
34453431

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Popular Name: Benzyl (3-hydroxypropyl)carbamate Benzyl (3-hydroxypropyl)carbamate

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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 1.29 -7.86 2 4 0 59 209.245 6 ↓

Analogs

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Popular Name: 2,4-dichloro-5-methoxyaniline 2,4-dichloro-5-methoxyaniline

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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 2.79 -4.26 2 2 0 35 192.045 1 ↓

Analogs

34976479
34976479
34976481
34976481
34976483
34976483
34976628
34976628

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Popular Name: 2,5-Difluorobenzophenone 2,5-Difluorobenzophenone

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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) 3.65 3.34 -7.25 0 1 0 17 218.202 2 ↓

Analogs

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Popular Name: Diethyl (hydroxymethyl)phosphonate Diethyl (hydroxymethyl)phosphonate

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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) -0.29 -0.01 -8.15 1 4 0 56 168.129 5 ↓

Analogs

3080718
3080718
34482728
34482728
34617840
34617840
39342154
39342154
1575452
1575452

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Popular Name: 3,3-Dimethyl-1-indanone 3,3-Dimethyl-1-indanone

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.70 1.91 -6.36 0 1 0 17 160.216 0 ↓

Analogs

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Popular Name: Diisopropyl sulfite Diisopropyl sulfite

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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) 1.67 2.97 -13.8 0 3 0 36 166.242 4 ↓

Analogs

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Popular Name: DiaMyl Sulfite DiaMyl Sulfite

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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) 4.08 -2.35 -13.89 0 3 0 35 222.35 10 ↓

Analogs

36671062
36671062

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Popular Name: Dihexyl Malonate Dihexyl Malonate

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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) 4.59 11.5 -10.27 0 4 0 53 272.385 14 ↓

Analogs

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Popular Name: Ethyl 7-(DiethylaMino)couMarin-3-carboxylate Ethyl 7-(DiethylaMino)couMarin-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) 2.98 4.05 -18.99 0 5 0 59 289.331 6 ↓

Analogs

6117549
6117549

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Popular Name: 1-BENZYL-3-HYDROXY-1H-INDAZOLE 1-BENZYL-3-HYDROXY-1H-INDAZOLE

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX5-4-E Arachidonate 5-lipoxygenase (cluster #4 Of 7), Eukaryotic Eukaryotes 3400 0.45 Functional ≤ 10μM
Z50597-10-O Rattus Norvegicus (cluster #10 Of 12), Other Other 3400 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LOX5_RAT P12527 Arachidonate 5-lipoxygenase, Rat 3400 0.45 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 3400 0.45 Functional ≤ 10μM

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) 3.19 3.9 -8.64 1 3 0 38 224.263 2 ↓
Ref Reference (pH 7) 2.74 6.51 -11.9 1 3 0 38 224.263 2 ↓
Mid Mid (pH 6-8) 3.19 4.66 -55.96 0 3 -1 41 223.255 2 ↓

Analogs

1258469
1258469
6379956
6379956
32211775
32211775

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Popular Name: methyl 4-(trifluoromethyl)benzoate methyl 4-(trifluoromethyl)benzoate

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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 4.5 -5 0 2 0 26 204.147 3 ↓

Analogs

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Popular Name: METHYL 2-HYDROXY-4-METHYLBENZOATE METHYL 2-HYDROXY-4-METHYLBENZOATE

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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) 2.56 1.22 -7.79 1 3 0 47 166.176 2 ↓

Analogs

26509739
26509739

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Popular Name: Phenylthioacetonitrile Phenylthioacetonitrile

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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) 2.16 6.11 -7.22 0 1 0 23 149.218 2 ↓

Analogs

1701826
1701826

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Popular Name: 2-Methoxybutyl Acetate 2-Methoxybutyl Acetate

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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) 1.24 3.82 -6.22 0 3 0 36 146.186 5 ↓

Analogs

1701826
1701826

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Popular Name: 2-Methoxybutyl Acetate 2-Methoxybutyl Acetate

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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) 1.24 3.75 -6.21 0 3 0 36 146.186 5 ↓

Analogs

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Popular Name: Fluoro(phenylthio)acetonitrile Fluoro(phenylthio)acetonitrile

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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) 2.43 6.35 -5.47 0 1 0 24 167.208 2 ↓

Analogs

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Popular Name: Fluoro(phenylthio)acetonitrile Fluoro(phenylthio)acetonitrile

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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) 2.43 6.35 -5.49 0 1 0 24 167.208 2 ↓

Analogs

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Popular Name: O-Acetyl-N-carbobenzoxyhydroxylamine O-Acetyl-N-carbobenzoxyhydroxyla…

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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) 1.59 5.37 -9.16 1 5 0 65 209.201 5 ↓

Analogs

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Popular Name: 2-BroMo-3-Methoxynaphthalene 2-BroMo-3-Methoxynaphthalene

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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) 3.92 6.74 -4.83 0 1 0 9 237.096 1 ↓

Analogs

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Popular Name: 2,3-Dibromopyridine 2,3-Dibromopyridine

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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) 2.61 -1.21 -5.09 0 1 0 13 236.894 0 ↓
Lo Low (pH 4.5-6) 2.61 -1.1 -32.85 1 1 1 14 237.902 0 ↓

Analogs

38524398
38524398

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Popular Name: 5-(Methacryloyloxy)Methyl-1,3-oxathiolane-2-thione 5-(Methacryloyloxy)Methyl-1,3-ox…

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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) 2.13 5.64 -12.94 0 3 0 36 218.299 4 ↓

Analogs

38524397
38524397

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Popular Name: 5-(Methacryloyloxy)Methyl-1,3-oxathiolane-2-thione 5-(Methacryloyloxy)Methyl-1,3-ox…

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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) 2.13 5.55 -12.96 0 3 0 36 218.299 4 ↓

Analogs

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Popular Name: 2,2'-Sulfonylbis(4-tert-octylphenol) 2,2'-Sulfonylbis(4-tert-octylphe…

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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) 8.45 -1.55 -10.93 2 4 0 74 474.707 8 ↓

Analogs

2579296
2579296

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Popular Name: 1,3-Diaminotetrafluorobenzene 1,3-Diaminotetrafluorobenzene

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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) 1.27 0.62 -3.58 4 2 0 52 180.104 0 ↓

Analogs

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Popular Name: Vinylcyclopentane Vinylcyclopentane

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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) 2.74 5.38 -0.29 0 0 0 0 96.173 1 ↓

Analogs

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Popular Name: 1-BroMo-3-phenyliMidazo[1,5-a]pyridine 1-BroMo-3-phenyliMidazo[1,5-a]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) 4.15 0.52 -10.6 0 2 0 17 273.133 1 ↓
Mid Mid (pH 6-8) 4.15 0.73 -24.21 1 2 1 18 274.141 1 ↓

Analogs

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Popular Name: 2-(Phenylsulfonyl)aniline 2-(Phenylsulfonyl)aniline

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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) 2.22 -3.64 -10.25 2 3 0 60 233.292 2 ↓

Analogs

2598938
2598938
42077278
42077278
42077381
42077381
42077464
42077464

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Popular Name: 6-Chloroisatin 6-Chloroisatin

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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) 1.48 2.5 -7.34 1 3 0 50 181.578 0 ↓

Analogs

5157064
5157064
5157276
5157276
13600416
13600416
14684704
14684704
1530357
1530357

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Popular Name: (+)-quercitol (+)-quercitol

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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) -2.13 -11.4 -9.04 5 5 0 101 164.157 0 ↓

Analogs

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Popular Name: 1-Methyl-2-phenylethyl Acetate 1-Methyl-2-phenylethyl Acetate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 2.82 -6.71 0 2 0 26 178.231 4 ↓

Analogs

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Popular Name: 1-Methyl-2-phenylethyl Acetate 1-Methyl-2-phenylethyl Acetate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 2.82 -6.62 0 2 0 26 178.231 4 ↓

Analogs

17059271
17059271
17059274
17059274

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Popular Name: 3-Octen-2-ol 3-Octen-2-ol

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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) 2.74 -0.47 -2 1 1 0 20 128.215 4 ↓

Analogs

17059271
17059271
17059274
17059274

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Popular Name: 3-Octen-2-ol 3-Octen-2-ol

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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) 2.74 -0.23 -1.63 1 1 0 20 128.215 4 ↓

Analogs

641990
641990

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Popular Name: Phenyl 2,3,4,6-Tetra-O-acetyl-1-thio-beta-D-galactopyranoside Phenyl 2,3,4,6-Tetra-O-acetyl-1-…

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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) 2.43 11.78 -17.7 0 9 0 114 440.47 11 ↓

Analogs

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Popular Name: 4-Methoxyphenyl 2,6-di-O-benzyl-b-D-galactopyranoside 4-Methoxyphenyl 2,6-di-O-benzyl-…

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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) 4.15 7.56 -13.95 2 7 0 87 466.53 10 ↓

Analogs

4533821
4533821
4533822
4533822
26254851
26254851
4293695
4293695
4293696
4293696

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Popular Name: N-Acetylneuraminic acid methyl ester N-Acetylneuraminic acid methyl e…

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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) -3.52 -11.63 -19.15 6 10 0 165 323.298 6 ↓

Analogs

13306903
13306903

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Popular Name: 4,7,8,9-Tetra-O-acetyl-D-neuraminic acid methyl ester 4,7,8,9-Tetra-O-acetyl-D-neurami…

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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) -0.93 6.91 -24.24 2 14 0 190 491.446 14 ↓

Analogs

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Popular Name: Methyl 2,3,4-tri-O-benzyl-b-L-thiofucopyranoside Methyl 2,3,4-tri-O-benzyl-b-L-th…

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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) 5.72 14.58 -8.22 0 4 0 37 464.627 10 ↓

Analogs

35024860
35024860
35024863
35024863
35024864
35024864
35024867
35024867

Draw Identity 99% 90% 80% 70%

Popular Name: Methyl 2,3,4-Tri-O-acetyl-1-thio-beta-L-fucopyranoside Methyl 2,3,4-Tri-O-acetyl-1-thio…

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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) 1.20 7.43 -12.23 0 7 0 88 320.363 7 ↓

Analogs

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Popular Name: 4-Methoxyphenyl a-D-mannopyranoside 4-Methoxyphenyl a-D-mannopyranoside

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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) -0.27 -5.52 -10.71 4 7 0 109 286.28 4 ↓

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page.format = targets
page.num = 1
catalog.name = tci
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 'tci' 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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