UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34573412
34573412

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Popular Name: 4-Hydroxy-3-(trifluoromethyl)benzaldehyde 4-Hydroxy-3-(trifluoromethyl)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) 2.54 1.9 -10.74 1 2 0 37 190.12 2 ↓

Analogs

38220408
38220408

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Popular Name: 2-Hydroxy-4-methylbenzaldehyde 2-Hydroxy-4-methylbenzaldehyde

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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) 2.09 0.76 -8.41 1 2 0 37 136.15 1 ↓

Analogs

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Popular Name: 2-Hydroxy-3-methylbenzaldehyde 2-Hydroxy-3-methylbenzaldehyde

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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 2.2 -6.82 1 2 0 37 136.15 1 ↓

Analogs

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Popular Name: 4-Fluoro-2-(trifluoromethyl)benzaldehyde 4-Fluoro-2-(trifluoromethyl)benz…

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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) 2.72 4.3 -10.09 0 1 0 17 192.111 2 ↓

Analogs

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Popular Name: 2-Fluoro-6-(trifluoromethyl)benzaldehyde 2-Fluoro-6-(trifluoromethyl)benz…

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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 4.26 -8.06 0 1 0 17 192.111 2 ↓

Analogs

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Popular Name: 4-Difluoromethoxy-3-methoxy-benzaldehyde 4-Difluoromethoxy-3-methoxy-benz…

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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) 1.93 3.73 -10.77 0 3 0 36 202.156 4 ↓

Analogs

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Popular Name: 2,5-Difluorobenzaldehyde 2,5-Difluorobenzaldehyde

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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) 1.98 4.36 -7.96 0 1 0 17 142.104 1 ↓

Analogs

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Popular Name: 3,5-Dibromobenzaldehyde 3,5-Dibromobenzaldehyde

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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) 3.27 0.09 -5.5 0 1 0 17 263.916 1 ↓

Analogs

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Popular Name: 4-Cyano-2-methoxybenzaldehyde 4-Cyano-2-methoxybenzaldehyde

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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) 1.47 3.99 -7.09 0 3 0 50 161.16 2 ↓

Analogs

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Popular Name: 4-Cyano-2-fluorobenzaldehyde 4-Cyano-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) 1.57 4.69 -12.43 0 2 0 41 149.124 1 ↓

Analogs

34365058
34365058

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Popular Name: 4-Chloro-3-(trifluoromethyl)benzaldehyde 4-Chloro-3-(trifluoromethyl)benz…

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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) 3.23 3.54 -9.61 0 1 0 17 208.566 2 ↓

Analogs

34365061
34365061

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Popular Name: 2-Chloro-6-(trifluoromethyl)benzaldehyde 2-Chloro-6-(trifluoromethyl)benz…

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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 5.7 -7.55 0 1 0 17 208.566 2 ↓

Analogs

34365058
34365058

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Popular Name: 2-Chloro-5-(trifluoromethyl)benzaldehyde 2-Chloro-5-(trifluoromethyl)benz…

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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) 3.23 3.66 -6.31 0 1 0 17 208.566 2 ↓

Analogs

34365058
34365058

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Popular Name: 2-Chloro-3-(trifluoromethyl)benzaldehyde 2-Chloro-3-(trifluoromethyl)benz…

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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 3.53 -4.94 0 1 0 17 208.566 2 ↓

Analogs

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Popular Name: 5-Chloro-2-methylbenzaldehyde 5-Chloro-2-methylbenzaldehyde

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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) 2.78 5.28 -7.01 0 1 0 17 154.596 1 ↓

Analogs

38234264
38234264

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Popular Name: 2-Chloro-3-methylbenzaldehyde 2-Chloro-3-methylbenzaldehyde

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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) 2.76 5.24 -4.6 0 1 0 17 154.596 1 ↓

Analogs

39370259
39370259

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Popular Name: 3-Chloro-4-methoxybenzaldehyde 3-Chloro-4-methoxybenzaldehyde

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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) 2.39 1.55 -6.81 0 2 0 26 170.595 2 ↓

Analogs

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Popular Name: 2-Chloro-5-hydroxybenzaldehyde 2-Chloro-5-hydroxybenzaldehyde

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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 1.88 -8.11 1 2 0 37 156.568 1 ↓
Hi High (pH 8-9.5) 1.85 2.56 -41.3 0 2 -1 40 155.56 1 ↓

Analogs

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Popular Name: 3-Chloro-5-fluorobenzaldehyde 3-Chloro-5-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) 2.50 2.2 -5.93 0 1 0 17 158.559 1 ↓

Analogs

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Popular Name: 3-Chloro-2,4-difluorobenzaldehyde 3-Chloro-2,4-difluorobenzaldehyde

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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) 2.59 2.84 -12.39 0 1 0 17 176.549 1 ↓

Analogs

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Popular Name: 2-Bromo-5-(trifluoromethyl)benzaldehyde 2-Bromo-5-(trifluoromethyl)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) 3.36 3.11 -6.01 0 1 0 17 253.017 2 ↓

Analogs

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Popular Name: 5-Bromo-2-(trifluoromethoxy)benzaldehyde 5-Bromo-2-(trifluoromethoxy)benz…

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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) 3.43 5.93 -7.01 0 2 0 26 269.016 3 ↓

Analogs

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Popular Name: 3-Bromo-4-(trifluoromethoxy)benzaldehyde 3-Bromo-4-(trifluoromethoxy)benz…

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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) 3.43 4.7 -7.67 0 2 0 26 269.016 3 ↓

Analogs

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Popular Name: 4-Bromo-2-methylbenzaldehyde 4-Bromo-2-methylbenzaldehyde

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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) 2.91 5.38 -5.59 0 1 0 17 199.047 1 ↓

Analogs

32224117
32224117
36985301
36985301
37025607
37025607

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Popular Name: 4-Bromo-2-methoxybenzaldehyde 4-Bromo-2-methoxybenzaldehyde

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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) 2.52 4.23 -4.85 0 2 0 26 215.046 2 ↓

Analogs

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Popular Name: 3-Bromo-4-hydroxybenzaldehyde 3-Bromo-4-hydroxybenzaldehyde

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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 -1.02 -6.67 1 2 0 37 201.019 1 ↓

Analogs

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Popular Name: 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde 3-Bromo-5-ethoxy-4-hydroxybenzal…

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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) 2.41 -0.65 -7.79 1 3 0 47 245.072 3 ↓

Analogs

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Popular Name: 4-Bromo-3-chlorobenzaldehyde 4-Bromo-3-chlorobenzaldehyde

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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 5.29 -8 0 1 0 17 219.465 1 ↓

Analogs

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Popular Name: 3-Bromo-5-chlorobenzaldehyde 3-Bromo-5-chlorobenzaldehyde

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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 5.34 -5.6 0 1 0 17 219.465 1 ↓

Analogs

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Popular Name: 3-Bromo-2,6-difluorobenzaldehyde 3-Bromo-2,6-difluorobenzaldehyde

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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) 2.72 2.21 -5.99 0 1 0 17 221 1 ↓

Analogs

3887828
3887828

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Popular Name: 3,4-Bis(difluoromethoxy)benzaldehyde 3,4-Bis(difluoromethoxy)benzalde…

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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) 2.49 4.01 -13.15 0 3 0 36 238.136 5 ↓

Analogs

34448878
34448878

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Popular Name: 2-(Trifluoromethyl)phenylacetonitrile 2-(Trifluoromethyl)phenylacetoni…

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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 4.55 -8.23 0 1 0 24 185.148 2 ↓

Analogs

45626821
45626821
45626822
45626822

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Popular Name: 4-(Trifluoromethoxy)phenylacetonitrile 4-(Trifluoromethoxy)phenylaceton…

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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) 2.87 4.29 -9.03 0 2 0 33 201.147 3 ↓

Analogs

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Popular Name: 3-(Trifluoromethoxy)phenylacetonitrile 3-(Trifluoromethoxy)phenylaceton…

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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) 2.85 4.29 -8.92 0 2 0 33 201.147 3 ↓

Analogs

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Popular Name: 2,3,4-Trifluorophenylacetonitrile 2,3,4-Trifluorophenylacetonitrile

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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 4.93 -12.71 0 1 0 24 171.121 1 ↓

Analogs

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Popular Name: 4-Iodophenylacetonitrile 4-Iodophenylacetonitrile

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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) 2.99 1.93 -8.07 0 1 0 24 243.047 1 ↓

Analogs

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Popular Name: 2-Iodophenylacetonitrile 2-Iodophenylacetonitrile

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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) 2.94 1.95 -6.57 0 1 0 24 243.047 1 ↓

Analogs

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Popular Name: 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile 3-Fluoro-5-(trifluoromethyl)phen…

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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) 2.89 5.68 -9.69 0 1 0 24 203.138 2 ↓

Analogs

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Popular Name: 5-Fluoro-2-methylphenylacetonitrile 5-Fluoro-2-methylphenylacetonitrile

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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 3.8 -8.16 0 1 0 23 149.168 1 ↓

Analogs

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Popular Name: 2-(Difluoromethoxy)phenylacetonitrile 2-(Difluoromethoxy)phenylacetoni…

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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) 2.47 3.85 -10.15 0 2 0 33 183.157 3 ↓

Analogs

2579779
2579779

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Popular Name: 3,4-Dichlorobenzoylacetonitrile 3,4-Dichlorobenzoylacetonitrile

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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) 2.20 2.49 -17.2 0 2 0 41 214.051 2 ↓

Analogs

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Popular Name: 3,5-Dibromobenzylcyanide 3,5-Dibromobenzylcyanide

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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) 3.45 6.88 -8.15 0 1 0 24 274.943 1 ↓

Analogs

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Popular Name: 2-Cyanophenylacetonitrile 2-Cyanophenylacetonitrile

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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) 1.61 5.89 -11.07 0 2 0 48 142.161 1 ↓

Analogs

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Popular Name: 2-(3-Chloro-5-(trifluoromethyl)phenyl)acetonitrile 2-(3-Chloro-5-(trifluoromethyl)p…

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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 7.15 -9.18 0 1 0 24 219.593 2 ↓

Analogs

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Popular Name: 5-Chloro-2-fluorophenylacetonitrile 5-Chloro-2-fluorophenylacetonitrile

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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) 2.67 3.32 -7.4 0 1 0 24 169.586 1 ↓

Analogs

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Popular Name: 3-Chloro-4-fluorophenylacetonitrile 3-Chloro-4-fluorophenylacetonitrile

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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) 2.67 3.34 -10.37 0 1 0 24 169.586 1 ↓

Analogs

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Popular Name: 4-Ethylbenzyl chloride 4-Ethylbenzyl chloride

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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) 3.43 7.22 -2.45 0 0 0 0 154.64 2 ↓

Analogs

26516960
26516960
26516962
26516962
37094060
37094060
37094065
37094065

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Popular Name: 2,5-Dimethoxybenzyl chloride 2,5-Dimethoxybenzyl chloride

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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 1.35 -5.01 0 2 0 18 186.638 3 ↓

Analogs

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Popular Name: 2-(chloromethyl)-1,4-difluorobenzene 2-(chloromethyl)-1,4-difluoroben…

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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 5.88 -3.11 0 0 0 0 162.566 1 ↓

Analogs

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Popular Name: 1-Chloro-4-(chloromethyl)-2-(trifluoromethyl)benzene 1-Chloro-4-(chloromethyl)-2-(tri…

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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) 4.01 7.19 -4.75 0 0 0 0 229.028 2 ↓

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