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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: Camphene Camphene

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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) 3.33 2.28 -0.47 0 0 0 0 136.238 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Camphene Camphene

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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) 3.33 2.27 -0.45 0 0 0 0 136.238 0 ↓

Analogs

1720747
1720747
2170876
2170876
4082362
4082362
4082363
4082363
4277011
4277011

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Popular Name: CAMPHOR (1R) CAMPHOR (1R)

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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 5.58 -4.65 0 1 0 17 152.237 0 ↓

Analogs

4082362
4082362
4082363
4082363
4277011
4277011
4429850
4429850
4583026
4583026

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Popular Name: (1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (1S,4S)-1,7,7-trimethylbicyclo[2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 5.58 -4.63 0 1 0 17 152.237 0 ↓

Analogs

4202510
4202510
4202515
4202515
4521552
4521552
4600152
4600152
6920384
6920384

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Popular Name: octanol octanol

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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 3.47 -2.34 1 1 0 20 130.231 6 ↓

Analogs

2581431
2581431

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Popular Name: Dibutyl disulfide Dibutyl disulfide

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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 1.74 -1.79 0 0 0 0 178.366 7 ↓

Analogs

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Popular Name: 1,1-DIETHYLUREA 1,1-DIETHYLUREA

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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) 0.37 1.06 -8.35 2 3 0 46 116.164 2 ↓

Analogs

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Popular Name: 3,5-Dichloroanisole 3,5-Dichloroanisole

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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) 3.28 0.93 -2.18 0 1 0 9 177.03 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Mesitylene Mesitylene

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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) 3.21 2.17 -2.16 0 0 0 0 120.195 0 ↓

Analogs

2585418
2585418

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Popular Name: 3-Methyl pyrrole 3-Methyl pyrrole

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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) 1.23 3.06 -3.54 1 1 0 16 81.118 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-Dimethylfuran 2,5-Dimethylfuran

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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 4.08 -3.85 0 1 0 13 96.129 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: p-Cresol p-Cresol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-10-E Acetylcholinesterase (cluster #10 Of 12), Eukaryotic Eukaryotes 4900 0.93 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_HUMAN P22303 Acetylcholinesterase, Human 1.81970086 1.53 Binding ≤ 1μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 1.81970086 1.53 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) 1.91 2.31 -3.68 1 1 0 20 108.14 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-Diiodobenzene 1,4-Diiodobenzene

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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) 4.10 6.67 -1.02 0 0 0 0 329.906 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2-Diiodobenzene 1,2-Diiodobenzene

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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) 4.05 6.54 -2.55 0 0 0 0 329.906 0 ↓

Analogs

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Popular Name: 2,3,4,5,6-Pentafluoroaniline 2,3,4,5,6-Pentafluoroaniline

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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) 1.95 2.73 -2.75 2 1 0 26 183.079 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-Difluoroaniline 3,5-Difluoroaniline

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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 2.5 -3.26 2 1 0 26 129.109 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoroaniline 2,4-difluoroaniline

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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) 1.68 2.52 -3.6 2 1 0 26 129.109 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Fluoroaniline 2-Fluoroaniline

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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) 1.54 2.46 -3.44 2 1 0 26 111.119 0 ↓

Analogs

13523661
13523661

Draw Identity 99% 90% 80% 70%

Popular Name: cinnamaldehyde cinnamaldehyde

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPA1-2-E Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #2 Of 5), Eukaryotic Eukaryotes 6500 0.73 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPA1_HUMAN O75762 Transient Receptor Potential Cation Channel Subfamily A Member 1, Human 6500 0.73 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) 2.48 5.49 -7.64 0 1 0 17 132.162 2 ↓

Analogs

33838556
33838556

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Popular Name: (Z)-Benzaldehyde oxime (Z)-Benzaldehyde 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) 2.36 2.47 -5.63 1 2 0 33 121.139 1 ↓
Ref Reference (pH 7) 1.54 2.55 -3.29 0 2 0 29 121.139 2 ↓
Ref Reference (pH 7) 2.36 2.32 -5.07 1 2 0 33 121.139 1 ↓

Analogs

389659
389659

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Popular Name: 2,4-Difluorophenol 2,4-Difluorophenol

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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) 1.97 1.77 -4.39 1 1 0 20 130.093 0 ↓

Analogs

6091355
6091355

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Popular Name: 3-Chlorophenol 3-Chlorophenol

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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) 2.11 2.15 -3.66 1 1 0 20 128.558 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: AZULENE AZULENE

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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 1.37 -6.1 0 0 0 0 128.174 0 ↓

Analogs

21789520
21789520
21800314
21800314
34540813
34540813
36974112
36974112
36974133
36974133

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Popular Name: 1,2,3,4-Tetrahydroquinoline 1,2,3,4-Tetrahydroquinoline

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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) 2.31 4.49 -3.03 1 1 0 12 133.194 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Pyridinium chlorochromate Pyridinium chlorochromate

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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) 0.70 2.74 -3.95 0 1 0 13 79.102 0 ↓
Lo Low (pH 4.5-6) 0.70 3.2 -29.69 1 1 1 14 80.11 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Furan Furan

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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 2.44 -3.13 0 1 0 13 68.075 0 ↓

Analogs

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Popular Name: 2,1-BENZISOXAZOLE 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) 1.73 4.14 -8.04 0 2 0 26 119.123 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluorobenzaldehyde 2-fluorobenzaldehyde

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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) 1.84 4.29 -10.16 0 1 0 17 124.114 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Benzonitrile Benzonitrile

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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) 1.69 4.88 -5.05 0 1 0 24 103.124 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Vinylimidazole 1-Vinylimidazole

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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) 0.30 4.66 -6.2 0 2 0 18 94.117 1 ↓
Mid Mid (pH 6-8) 0.30 5.17 -29.59 1 2 1 19 95.125 1 ↓

Analogs

39050335
39050335
39051005
39051005

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Popular Name: 4-Vinylpyridine 4-Vinylpyridine

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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) 1.50 3.82 -4.02 0 1 0 13 105.14 1 ↓
Lo Low (pH 4.5-6) 1.50 4.1 -29.77 1 1 1 14 106.148 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Bromopyrimidine 5-Bromopyrimidine

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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 3.14 -3.12 0 2 0 26 158.986 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Methyl chlorodifluoroacetate Methyl chlorodifluoroacetate

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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) 1.41 3.05 -2.48 0 2 0 26 144.504 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Methylbenzyl alcohol 2-Methylbenzyl alcohol

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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) 1.68 2.57 -4.41 1 1 0 20 122.167 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-diaminophenol 2,5-diaminophenol

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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) 0.21 -2.49 -4.6 5 3 0 72 124.143 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,6-NAPHTHYRIDINE 1,6-NAPHTHYRIDINE

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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) 1.15 3.09 -7.73 0 2 0 26 130.15 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-hydrazinothieno[2,3-d]pyrimidine 4-hydrazinothieno[2,3-d]pyrimidine

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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) 0.66 2.55 -8.72 3 4 0 64 166.209 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1,2,4]Triazolo[1,5-a]pyrimidine [1,2,4]Triazolo[1,5-a]pyrimidine

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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 5.52 -14.13 0 4 0 43 120.115 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-Aminoquinoline 8-Aminoquinoline

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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) 1.38 2.96 -5.86 2 2 0 39 144.177 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Methylnaphthalene 1-Methylnaphthalene

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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) 3.55 7.3 -3.72 0 0 0 0 142.201 0 ↓

Analogs

39270206
39270206

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Popular Name: 3-MethoxyMethylindole 3-MethoxyMethylindole

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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) 2.04 -0.1 -4.95 1 2 0 25 161.204 2 ↓

Analogs

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Popular Name: 4-Amino-2-methylthio-quinazoline 4-Amino-2-methylthio-quinazoline

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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) 2.62 -2.57 -10.46 2 3 0 52 191.259 1 ↓
Lo Low (pH 4.5-6) 2.62 -2.39 -32.66 3 3 1 53 192.267 1 ↓
Lo Low (pH 4.5-6) 2.62 -2.41 -23.45 3 3 1 53 192.267 1 ↓

Analogs

34427343
34427343
34447608
34447608
34611654
34611654

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Popular Name: 1-Naphthalenemethanol 1-Naphthalenemethanol

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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) 2.44 -1.09 -5.68 1 1 0 20 158.2 1 ↓

Analogs

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Popular Name: 2-Benzylpyridine 2-Benzylpyridine

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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 0.97 -5.14 0 1 0 13 169.227 2 ↓
Lo Low (pH 4.5-6) 2.73 1.16 -29.79 1 1 1 14 170.235 2 ↓

Analogs

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Popular Name: Benzoic acid Benzoic 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) 1.85 5.06 -49.56 0 2 -1 40 121.115 1 ↓

Analogs

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Popular Name: Cyclohexane Cyclohexane

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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) 3.21 4.83 -0.06 0 0 0 0 84.162 0 ↓

Analogs

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Popular Name: tert-Butylbenzene tert-Butylbenzene

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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) 3.64 6.81 -1.57 0 0 0 0 134.222 1 ↓

Analogs

4202510
4202510
4202515
4202515
4521552
4521552
4600152
4600152
6920384
6920384

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Popular Name: 1-Heptanol 1-Heptanol

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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) 2.63 2.69 -2.38 1 1 0 20 116.204 5 ↓

Analogs

2166907
2166907
60238804
60238804

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Popular Name: 1-Phenylheptane 1-Phenylheptane

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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) 5.32 9.83 -1.48 0 0 0 0 176.303 6 ↓

Analogs

34974893
34974893
34974897
34974897
36666760
36666760

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Popular Name: 1-azido-2,3,4,5,6-pentafluoro-benzene 1-azido-2,3,4,5,6-pentafluoro-be…

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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 2.63 -0.84 0 3 0 50 209.077 1 ↓

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