UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

26516431
26516431
26516433
26516433

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Popular Name: 3-chloro-4-fluorobenzonitrile 3-chloro-4-fluorobenzonitrile

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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) 2.46 3.15 -5.14 0 1 0 24 155.559 0 ↓

Analogs

164391
164391

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Popular Name: 2-Chloro-6-fluorobenzonitrile 2-Chloro-6-fluorobenzonitrile

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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 3.05 -7.94 0 1 0 24 155.559 0 ↓

Analogs

164825
164825

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Popular Name: 2-chloro-4-fluorobenzonitrile 2-chloro-4-fluorobenzonitrile

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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) 2.46 3.1 -5.05 0 1 0 24 155.559 0 ↓

Analogs

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Popular Name: 5-Chloro-2-fluorobenzoic acid 5-Chloro-2-fluorobenzoic 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) 2.28 1.28 -49.61 0 2 -1 40 173.55 1 ↓

Analogs

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Popular Name: 4-Chloro-2-fluorobenzoic acid 4-Chloro-2-fluorobenzoic 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) 2.28 1.28 -46.84 0 2 -1 40 173.55 1 ↓

Analogs

44200063
44200063

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Popular Name: 3-Chloro-5-fluorobenzoic acid 3-Chloro-5-fluorobenzoic 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) 2.62 1.38 -42.27 0 2 -1 40 173.55 1 ↓
Hi High (pH 8-9.5) -1.75 -3.54 -48.14 1 7 -1 110 158.093 1 ↓

Analogs

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Popular Name: 3-Chloro-4-fluorobenzoic acid 3-Chloro-4-fluorobenzoic 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) 2.62 1.36 -42.15 0 2 -1 40 173.55 1 ↓

Analogs

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Popular Name: 3-Chloro-2-fluorobenzoic acid 3-Chloro-2-fluorobenzoic 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) 2.26 1.27 -50.53 0 2 -1 40 173.55 1 ↓

Analogs

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Popular Name: 2-Chloro-6-fluorobenzoic acid 2-Chloro-6-fluorobenzoic 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) 2.26 1.22 -55.24 0 2 -1 40 173.55 1 ↓

Analogs

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Popular Name: 2-Chloro-4-fluorobenzoic acid 2-Chloro-4-fluorobenzoic 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) 2.28 1.34 -43.15 0 2 -1 40 173.55 1 ↓

Analogs

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Popular Name: 6-Chloro-5-fluorobenzimidazole-2-thiol 6-Chloro-5-fluorobenzimidazole-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 4.72 -10.19 2 2 0 32 202.641 0 ↓

Analogs

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Popular Name: 6-Chloro-5-fluorobenzimidazole 6-Chloro-5-fluorobenzimidazole

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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) 2.17 4.71 -7.79 1 2 0 29 170.574 0 ↓

Analogs

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Popular Name: 3-chloro-4-fluorobenzamide 3-chloro-4-fluorobenzamide

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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 1.84 -6.96 2 2 0 43 173.574 1 ↓

Analogs

39712935
39712935

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Popular Name: 2-Chloro-6-fluorobenzamide 2-Chloro-6-fluorobenzamide

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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 1.62 -9.77 2 2 0 43 173.574 1 ↓

Analogs

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Popular Name: 2-Chloro-4-fluorobenzamide 2-Chloro-4-fluorobenzamide

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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 1.85 -9.2 2 2 0 43 173.574 1 ↓

Analogs

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Popular Name: 4-CHLORO-3-FLUOROBENZALDEHYDE 4-CHLORO-3-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 2.18 -6 0 1 0 17 158.559 1 ↓

Analogs

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Popular Name: 4-CHLORO-2-FLUOROBENZALDEHYDE 4-CHLORO-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) 2.50 2.13 -9.42 0 1 0 17 158.559 1 ↓

Analogs

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Popular Name: 3-chloro-4-fluorobenzaldehyde 3-chloro-4-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 2.18 -5.93 0 1 0 17 158.559 1 ↓

Analogs

164391
164391
164825
164825

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Popular Name: 2-Chloro-6-fluorobenzaldehyde 2-Chloro-6-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) 2.47 2.12 -7.45 0 1 0 17 158.559 1 ↓

Analogs

164391
164391

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Popular Name: 2-Chloro-4-fluorobenzaldehyde 2-Chloro-4-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 2.22 -8.04 0 1 0 17 158.559 1 ↓

Analogs

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Popular Name: 4-Chloro-3-fluoroanisole 4-Chloro-3-fluoroanisole

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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 1.8 -3.47 0 1 0 9 160.575 1 ↓

Analogs

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Popular Name: 2-CHLORO-5-FLUOROANISOLE 2-CHLORO-5-FLUOROANISOLE

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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 1.87 -3.42 0 1 0 9 160.575 1 ↓

Analogs

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Popular Name: 5-Chloro-2-fluoroaniline 5-Chloro-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) 2.19 2.98 -2.47 2 1 0 26 145.564 0 ↓

Analogs

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Popular Name: 4-Chloro-3-fluoroaniline 4-Chloro-3-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) 1.78 2.93 -4.31 2 1 0 26 145.564 0 ↓

Analogs

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Popular Name: 4-Chloro-2-fluoroaniline 4-Chloro-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) 2.19 2.97 -3.1 2 1 0 26 145.564 0 ↓

Analogs

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Popular Name: 3-Chloro-4-fluoroaniline 3-Chloro-4-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) 1.78 2.93 -4.38 2 1 0 26 145.564 0 ↓

Analogs

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Popular Name: 3-Chloro-2-fluoroaniline 3-Chloro-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) 2.17 2.96 -4.37 2 1 0 26 145.564 0 ↓

Analogs

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Popular Name: 2-Chloro-6-fluoroaniline 2-Chloro-6-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) 2.17 3.03 -2.74 2 1 0 26 145.564 0 ↓

Analogs

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Popular Name: 2-Chloro-5-fluoroaniline 2-Chloro-5-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) 2.19 3.01 -2.38 2 1 0 26 145.564 0 ↓

Analogs

34537975
34537975

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Popular Name: 2-Chloro-4-fluoroaniline 2-Chloro-4-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) 2.19 3.01 -3.14 2 1 0 26 145.564 0 ↓

Analogs

2378491
2378491

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Popular Name: 2'-Chloro-5'-fluoroacetophenone 2'-Chloro-5'-fluoroacetophenone

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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 2.2 -6.36 0 1 0 17 172.586 1 ↓

Analogs

39341038
39341038

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Popular Name: 2'-Chloro-4'-fluoroacetophenone 2'-Chloro-4'-fluoroacetophenone

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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 2.2 -7.67 0 1 0 17 172.586 1 ↓

Analogs

6329709
6329709
34979716
34979716

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Popular Name: 4'-Chloro-2'-fluoroacetanilide 4'-Chloro-2'-fluoroacetanilide

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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 4.01 -5.93 1 2 0 29 187.601 1 ↓

Analogs

36761532
36761532

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Popular Name: 2'-Chloro-4'-fluoroacetanilide 2'-Chloro-4'-fluoroacetanilide

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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 4.09 -5.98 1 2 0 29 187.601 1 ↓

Analogs

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Popular Name: 2-CHLOROETHYL-(3-(TRIFLUOROMETHYL)PHENYL)SULFONE 2-CHLOROETHYL-(3-(TRIFLUOROMETHY…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.28 -0.64 -10.35 0 2 0 34 272.675 4 ↓

Analogs

36883205
36883205

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Popular Name: 2-Chloroethyl 4-fluorophenyl sulfone 2-Chloroethyl 4-fluorophenyl sul…

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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) 1.58 3.62 -9.43 0 2 0 34 222.668 3 ↓

Analogs

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Popular Name: 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate 2-Chloro-3-ethylbenzoxazolium te…

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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) -0.76 5.98 -23.11 0 2 1 17 182.63 1 ↓

Analogs

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Popular Name: 3-Chloro-2-[4-(ethoxycarbonyl)phenoxy]-5-(trifluoromethyl)pyridine 3-Chloro-2-[4-(ethoxycarbonyl)ph…

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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) 4.84 3.26 -6.17 0 4 0 48 345.704 6 ↓

Analogs

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Popular Name: 4-Chloro-3,5-dinitrobenzotrifluoride 4-Chloro-3,5-dinitrobenzotrifluo…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRXR2-1-E Thioredoxin Reductase 2, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.42 Binding ≤ 10μM
Z50459-5-O Leishmania Donovani (cluster #5 Of 8), Other Other 1300 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRXR2_PLAF7 P61076 Thioredoxin Reductase, Plaf7 8000 0.42 Binding ≤ 10μM
Z50459 Z50459 Leishmania Donovani 1300 0.48 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) 3.29 7.16 -5.16 0 6 0 92 270.55 3 ↓

Analogs

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Popular Name: 2-Chloro-3,5-dinitrobenzotrifluoride 2-Chloro-3,5-dinitrobenzotrifluo…

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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) 3.29 4.16 -4.08 0 6 0 91 270.55 3 ↓

Analogs

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Popular Name: 4-Chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine 4-Chloro-5,6-dimethyl-2-(trifluo…

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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 1.92 -6.31 0 2 0 26 210.586 1 ↓

Analogs

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Popular Name: 4-Chloro-6,8-difluoroquinoline 4-Chloro-6,8-difluoroquinoline

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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 1.66 -4.88 0 1 0 13 199.587 0 ↓

Analogs

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Popular Name: 2-Fluoro-6-(trifluoromethyl)pyridine 2-Fluoro-6-(trifluoromethyl)pyri…

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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) 2.17 3.09 -7.46 0 1 0 13 165.089 1 ↓

Analogs

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Popular Name: 2-Chloro-3,5-difluorophenol 2-Chloro-3,5-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) 2.58 0.6 -3.5 1 1 0 20 164.538 0 ↓

Analogs

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Popular Name: 4-Chloro-2,5-difluorobenzoyl chloride 4-Chloro-2,5-difluorobenzoyl chl…

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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) 3.25 2.53 -3.55 0 1 0 17 210.994 1 ↓

Analogs

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Popular Name: 4-Chloro-2,5-difluorobenzoic acid 4-Chloro-2,5-difluorobenzoic 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) 2.37 2 -42.93 0 2 -1 40 191.54 1 ↓
Hi High (pH 8-9.5) -1.75 -3.69 -43.58 1 7 -1 110 158.093 1 ↓

Analogs

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Popular Name: 2-Chloro-4,5-difluorobenzoic acid 2-Chloro-4,5-difluorobenzoic 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) 2.37 2.07 -39.75 0 2 -1 40 191.54 1 ↓

Analogs

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Popular Name: 3-Chloro-2,4-difluoroaniline 3-Chloro-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) 2.28 0.48 -5.28 2 1 0 26 163.554 0 ↓

Analogs

34578879
34578879

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Popular Name: 2-CHLORO-4,6-DIFLUOROANILINE 2-CHLORO-4,6-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) 2.28 0.64 -1.78 2 1 0 26 163.554 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-CHLORO-3,5-DIFLUOROANILINE 2-CHLORO-3,5-DIFLUOROANILINE

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.28 0.6 -2.84 2 1 0 26 163.554 0 ↓

Parameters Provided:

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