UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-Acetyl-DL-phenylalanine 2-Naphthyl Ester N-Acetyl-DL-phenylalanine 2-Naph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 1.85 -14.47 1 4 0 55 333.387 6 ↓

Analogs

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Popular Name: N-Acetyl-DL-phenylalanine 2-Naphthyl Ester N-Acetyl-DL-phenylalanine 2-Naph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 1.84 -14.38 1 4 0 55 333.387 6 ↓

Analogs

4578948
4578948
4578949
4578949

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Popular Name: CHOLESTEROL METHYL CARBONATE CHOLESTEROL METHYL CARBONATE

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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) 8.08 16.77 -4.2 0 3 0 36 444.7 8 ↓

Analogs

34218394
34218394
43465076
43465076

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Popular Name: 2-Allyloxybenzaldehyde 2-Allyloxybenzaldehyde

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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) 2.38 2.81 -9.42 0 2 0 26 162.188 4 ↓

Analogs

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Popular Name: 4-aminobenzohydrazide 4-aminobenzohydrazide

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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) -0.60 -0.77 -10.73 5 4 0 81 151.169 1 ↓

Analogs

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Popular Name: 5-Amino-1,3,4-thiadiazole-2-thiol 5-Amino-1,3,4-thiadiazole-2-thiol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH1-10-E Carbonic Anhydrase I (cluster #10 Of 12), Eukaryotic Eukaryotes 7100 1.03 Binding ≤ 10μM
CAH2-11-E Carbonic Anhydrase II (cluster #11 Of 15), Eukaryotic Eukaryotes 9200 1.01 Binding ≤ 10μM
CAH9-10-E Carbonic Anhydrase IX (cluster #10 Of 11), Eukaryotic Eukaryotes 9300 1.01 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 7100 1.03 Binding ≤ 10μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 9200 1.01 Binding ≤ 10μM
CAH9_HUMAN Q16790 Carbonic Anhydrase IX, Human 9300 1.01 Binding ≤ 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) 0.65 0.39 -39.66 2 3 -1 52 132.193 0 ↓

Analogs

39124831
39124831

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Popular Name: N,N-Diethyl-4-nitroaniline N,N-Diethyl-4-nitroaniline

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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) 2.75 2.23 -7.26 0 4 0 49 194.234 4 ↓

Analogs

5934689
5934689
31319532
31319532
39124903
39124903

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Popular Name: N-Methylphthalimide N-Methylphthalimide

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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) 1.53 3.76 -8.47 0 3 0 39 161.16 0 ↓

Analogs

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Popular Name: 4-[bis(2-chloroethyl)amino]benzaldehyde 4-[bis(2-chloroethyl)amino]benza…

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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) 3.04 1.42 -7.87 0 2 0 20 246.137 6 ↓

Analogs

34573429
34573429

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Popular Name: Phthalamide Phthalamide

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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 -0.61 -17.41 4 4 0 86 164.164 2 ↓

Analogs

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Popular Name: 2,2'-((3-Chlorophenyl)azanediyl)diethanol 2,2'-((3-Chlorophenyl)azanediyl)…

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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) 1.43 0.84 -5.44 2 3 0 44 215.68 5 ↓

Analogs

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Popular Name: 3-PENTENENITRILE 3-PENTENENITRILE

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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 4.06 -5.98 0 1 0 24 81.118 1 ↓

Analogs

1707451
1707451
1707470
1707470
1726904
1726904
5762178
5762178
16637740
16637740

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Popular Name: 4-tert-Butylcyclohexanone 4-tert-Butylcyclohexanone

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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) 2.50 2.13 -4.12 0 1 0 17 154.253 1 ↓

Analogs

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Popular Name: N-Ethoxycarbonylphthalimide N-Ethoxycarbonylphthalimide

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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) 1.75 6.3 -13.39 0 5 0 65 219.196 2 ↓

Analogs

37116647
37116647
41985016
41985016

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Popular Name: Methyl 3-((2-methoxy-2-oxoethyl)thio)propanoate Methyl 3-((2-methoxy-2-oxoethyl)…

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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) 0.52 5.1 -8.56 0 4 0 53 192.236 7 ↓

Analogs

15768489
15768489

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Popular Name: TRANS-1,2-DIBENZOYLETHYLENE TRANS-1,2-DIBENZOYLETHYLENE

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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) 3.13 2.4 -7.66 0 2 0 34 236.27 4 ↓

Analogs

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Popular Name: 2-Chloro-5-nitrobenzotrifluoride 2-Chloro-5-nitrobenzotrifluoride

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 3.66 -5.15 0 3 0 45 225.553 2 ↓

Analogs

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Popular Name: 1-ALLYL-2(1H)-PYRIDINONE 1-ALLYL-2(1H)-PYRIDINONE

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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) 0.97 4.79 -11.99 0 2 0 22 135.166 2 ↓

Analogs

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Popular Name: Z-GLY-OME Z-GLY-OME

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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) 1.40 4 -7.34 1 5 0 65 223.228 6 ↓

Analogs

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Popular Name: 4'-Isobutylacetophenone 4'-Isobutylacetophenone

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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) 3.14 2.47 -6.29 0 1 0 17 176.259 3 ↓

Analogs

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Popular Name: p-[(2-Chloroethyl)ethylamino]benzaldehyde p-[(2-Chloroethyl)ethylamino]ben…

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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) 2.81 1.77 -7.56 0 2 0 20 211.692 5 ↓

Analogs

41695851
41695851

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Popular Name: N-Methylbenzamide N-Methylbenzamide

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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 2.77 -8.92 1 2 0 29 135.166 1 ↓
Mid Mid (pH 6-8) 1.20 -1.13 -6.71 1 2 0 33 135.166 1 ↓
Mid Mid (pH 6-8) 1.20 -0.14 -6.26 1 2 0 33 135.166 1 ↓

Analogs

39261905
39261905

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Popular Name: 4-chloro-3-nitrobenzaldehyde 4-chloro-3-nitrobenzaldehyde

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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) 2.29 1.95 -14.95 0 4 0 63 185.566 2 ↓

Analogs

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Popular Name: 5-Chloro-3-phenyl-2,1-benzisoxazole 5-Chloro-3-phenyl-2,1-benzisoxazole

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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) 4.30 8.06 -6.5 0 2 0 26 229.666 1 ↓

Analogs

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Popular Name: 2-Hydroxy-3-methylbenzhydrazide 2-Hydroxy-3-methylbenzhydrazide

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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) 1.00 0.61 -11.39 4 4 0 75 166.18 1 ↓

Analogs

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Popular Name: cyclohexane-1,2-diol cyclohexane-1,2-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) 0.44 -1.31 -4.92 2 2 0 40 116.16 0 ↓

Analogs

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Popular Name: 2-(cyclohex-1-en-1-yl)acetonitrile 2-(cyclohex-1-en-1-yl)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) 1.88 5.88 -5.91 0 1 0 24 121.183 1 ↓

Analogs

2170344
2170344
33822501
33822501
33822502
33822502

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Popular Name: 2-(1-CYCLOHEXENYL)CYCLOHEXANONE 2-(1-CYCLOHEXENYL)CYCLOHEXANONE

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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) 3.37 1.32 -4.55 0 1 0 17 178.275 1 ↓

Analogs

33822501
33822501
33822502
33822502
1604700
1604700

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Popular Name: 2-(1-CYCLOHEXENYL)CYCLOHEXANONE 2-(1-CYCLOHEXENYL)CYCLOHEXANONE

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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) 3.37 1.34 -4.64 0 1 0 17 178.275 1 ↓

Analogs

39249324
39249324
39249325
39249325
2378844
2378844
2378850
2378850

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Popular Name: Methyl 5-oxo-5-phenylpentanoate Methyl 5-oxo-5-phenylpentanoate

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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) 2.06 2.81 -13.74 0 3 0 43 206.241 6 ↓

Analogs

5166679
5166679

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Popular Name: diacetoxynorbornane (mainly 2-exo-7-anti-diacetoxynorbornane) diacetoxynorbornane (mainly 2-ex…

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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 7 -9.09 0 4 0 53 212.245 4 ↓

Analogs

5166408
5166408

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Popular Name: diacetoxynorbornane (mainly 2-exo-7-anti-diacetoxynorbornane) diacetoxynorbornane (mainly 2-ex…

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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 7.03 -8.93 0 4 0 53 212.245 4 ↓

Analogs

1556060
1556060
1556064
1556064

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Popular Name: 4'-PENTYLACETOPHENONE 4'-PENTYLACETOPHENONE

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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) 4.21 2.53 -6.09 0 1 0 17 190.286 5 ↓

Analogs

2474395
2474395
2583701
2583701
22216178
22216178
32152123
32152123
36995334
36995334

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Popular Name: 2,4,6-Tri-tert-butylaniline 2,4,6-Tri-tert-butylaniline

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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) 6.39 3.71 -1.84 2 1 0 26 261.453 3 ↓

Analogs

5871053
5871053
5928576
5928576
143095
143095

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Popular Name: N,N'-Dibenzoylhydrazine N,N'-Dibenzoylhydrazine

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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) 1.92 5.26 -10.62 2 4 0 58 240.262 3 ↓

Analogs

31350583
31350583
32225529
32225529
34545608
34545608
39234232
39234232
39256150
39256150

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Popular Name: 2-Phenylpropanal 2-Phenylpropanal

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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) 3.17 5.7 -4.58 0 1 0 17 140.226 2 ↓

Analogs

5051845
5051845
34534293
34534293

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Popular Name: 2-Phenylpropionaldehyde 2-Phenylpropionaldehyde

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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) 2.73 2.05 -5.75 0 1 0 17 134.178 2 ↓

Analogs

1691387
1691387
5379925
5379925
5822838
5822838

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Popular Name: 6,6'-Methylenebis(2-(tert-butyl)-4-methylphenol) 6,6'-Methylenebis(2-(tert-butyl)…

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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) 7.48 10.3 -5.13 2 2 0 40 340.507 4 ↓

Analogs

16939473
16939473

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Popular Name: 2,3,5,6-TETRAHYDROXY-1,4-DINITROCYCLOHEXANE DIHYDRATE 2,3,5,6-TETRAHYDROXY-1,4-DINITRO…

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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) -2.86 -4.46 -13.45 4 10 0 173 238.152 2 ↓

Analogs

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Popular Name: Diethyl 2-acetylglutarate Diethyl 2-acetylglutarate

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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 6.67 -15.84 0 5 0 70 230.26 9 ↓

Analogs

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Popular Name: Diethyl 2-acetylglutarate Diethyl 2-acetylglutarate

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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 6.77 -13.57 0 5 0 70 230.26 9 ↓

Analogs

36756475
36756475
36756476
36756476
36756485
36756485
36756486
36756486
36756500
36756500

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Popular Name: 5,6-Dihydro-6-methyluracil 5,6-Dihydro-6-methyluracil

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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) 0.75 -1.3 -10.45 2 4 0 58 128.131 0 ↓

Analogs

36756475
36756475
36756476
36756476
36756485
36756485
36756486
36756486
36756500
36756500

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Popular Name: 5,6-Dihydro-6-methyluracil 5,6-Dihydro-6-methyluracil

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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) 0.75 -1.28 -9.37 2 4 0 58 128.131 0 ↓

Analogs

5187769
5187769

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Popular Name: 5,6-Dihydrouracil 5,6-Dihydrouracil

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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 -2.01 -10.67 2 4 0 58 114.104 0 ↓

Analogs

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Popular Name: N,N-Diisopropylformamide N,N-Diisopropylformamide

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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) 1.07 4.08 -5.58 0 2 0 20 129.203 2 ↓

Analogs

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Popular Name: N,N-Dimethylacetoacetamide N,N-Dimethylacetoacetamide

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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) -0.96 3.8 -16.23 0 3 0 37 129.159 2 ↓

Analogs

1555237
1555237

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Popular Name: N,N-Dimethylbenzamide N,N-Dimethylbenzamide

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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) 0.90 4.33 -9.28 0 2 0 20 149.193 1 ↓

Analogs

1555765
1555765

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Popular Name: Dimethyl dodecanedioate Dimethyl dodecanedioate

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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) 4.00 4.21 -9.18 0 4 0 52 258.358 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Dimethyl glutarate Dimethyl glutarate

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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 4.5 -11.9 0 4 0 53 160.169 6 ↓

Analogs

34599002
34599002
34599003
34599003

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Popular Name: 1-Methoxy-2-propyl acetate 1-Methoxy-2-propyl 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) 0.73 3.07 -6.08 0 3 0 36 132.159 4 ↓

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