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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

538404
538404

Draw Identity 99% 90% 80% 70%

Popular Name: Tadalafil Tadalafil

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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 6.9 -12.89 1 7 0 75 389.411 1 ↓

Analogs

8204637
8204637
8204642
8204642
538404
538404

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Popular Name: Tadalafil Tadalafil

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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 6.81 -13.33 1 7 0 75 389.411 1 ↓

Analogs

11616507
11616507
11616508
11616508
34581557
34581557
3871495
3871495

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Popular Name: Vitamin E acetate Vitamin E 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) 8.96 19.82 -8.65 0 3 0 36 472.754 14 ↓

Analogs

3947571
3947571

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Popular Name: Cholecalciferol Cholecalciferol

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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) 7.68 13.53 -2.24 1 1 0 20 384.648 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Alfacalcidol Alfacalcidol

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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) 6.76 10.23 -3.75 2 2 0 40 400.647 6 ↓

Analogs

31356867
31356867
31356870
31356870
33829829
33829829
33829830
33829830
33829831
33829831

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Popular Name: Vitamin D2 Vitamin D2

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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) 7.42 14.04 -2.32 1 1 0 20 396.659 5 ↓

Analogs

34337995
34337995
39038289
39038289

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Popular Name: 3,4-Dimethoxy-2-pyridinemethanol 3,4-Dimethoxy-2-pyridinemethanol

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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) 2.34 3.82 -4.13 0 2 0 22 192.045 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ethyl 2,6-Dichloro-5-Fluoro Pyridine-3-Acetoacetate Ethyl 2,6-Dichloro-5-Fluoro 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) 2.50 2.34 -14.6 0 4 0 56 280.082 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ethyl 1-Cyclopropyl-7-chloro-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthylridine carboxylate Ethyl 1-Cyclopropyl-7-chloro-6-f…

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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) 1.52 9.62 -14.14 0 5 0 61 310.712 4 ↓

Analogs

39280667
39280667
39280669
39280669

Draw Identity 99% 90% 80% 70%

Popular Name: alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol alpha-(2,4-Dichlorophenyl)-1H-im…

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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 6.83 -36.08 2 3 1 39 258.128 3 ↓
Mid Mid (pH 6-8) 2.09 6.32 -9.49 1 3 0 38 257.12 3 ↓

Analogs

39280667
39280667
39280669
39280669

Draw Identity 99% 90% 80% 70%

Popular Name: alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol alpha-(2,4-Dichlorophenyl)-1H-im…

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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 6.87 -34.37 2 3 1 39 258.128 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone 1-(2,4-Dichlorophenyl)-2-(1H-imi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 1.82 -14.93 0 3 0 34 255.104 3 ↓
Mid Mid (pH 6-8) -1.11 2.11 -41.34 1 3 1 36 256.112 3 ↓

Analogs

4241109
4241109

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Popular Name: tert-Butyl 3-cyano-4-oxopyrrolidine-1-carboxylate tert-Butyl 3-cyano-4-oxopyrrolid…

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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) 0.56 3.96 -12.01 0 5 0 70 210.233 2 ↓

Analogs

4241114
4241114

Draw Identity 99% 90% 80% 70%

Popular Name: tert-Butyl 3-cyano-4-oxopyrrolidine-1-carboxylate tert-Butyl 3-cyano-4-oxopyrrolid…

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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) 0.56 3.98 -10.5 0 5 0 70 210.233 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Etoricoxib Etoricoxib

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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) 3.01 6.23 -12.54 0 4 0 60 358.85 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-iodoaniline 4-fluoro-2-iodoaniline

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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) 2.60 -0.72 -3.01 2 1 0 26 237.015 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-Dichloro-6,7-dimethoxyquinazoline 2,4-Dichloro-6,7-dimethoxyquinaz…

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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) 2.96 -0.53 -6.22 0 4 0 44 259.092 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Methoxy-2-tetralone 5-Methoxy-2-tetralone

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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) 1.81 5.44 -5.98 0 2 0 26 176.215 1 ↓

Analogs

34359996
34359996
39321580
39321580

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Popular Name: 2-(Chloromethyl)quinoline hydrochloride 2-(Chloromethyl)quinoline hydroc…

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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 0.15 -6.98 0 1 0 13 177.634 1 ↓
Lo Low (pH 4.5-6) 2.59 0.2 -28.19 1 1 1 14 178.642 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone 1-(2,4-Difluorophenyl)-2-(1H-1,2…

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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) 0.86 7.71 -20.94 0 4 0 48 223.182 3 ↓

Analogs

3944782
3944782
596881
596881

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Popular Name: Miconazole nitrate Miconazole nitrate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.72 13.6 -35.01 1 3 1 28 417.143 6 ↓
Mid Mid (pH 6-8) 5.72 13.09 -6.46 0 3 0 27 416.135 6 ↓

Analogs

643055
643055
896740
896740
3872945
3872945
3944782
3944782
596881
596881

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Popular Name: Miconazole nitrate Miconazole nitrate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.72 14.15 -35.65 1 3 1 28 417.143 6 ↓
Mid Mid (pH 6-8) 5.72 13.63 -6.4 0 3 0 27 416.135 6 ↓

Analogs

896740
896740
3872945
3872945
3944782
3944782
596881
596881

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Popular Name: Econazole Nitrate Econazole Nitrate

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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) 5.12 12.79 -38.94 1 3 1 28 382.698 6 ↓
Mid Mid (pH 6-8) 5.12 12.28 -5.6 0 3 0 27 381.69 6 ↓

Analogs

607934
607934
607971
607971
643055
643055
896740
896740
3872945
3872945

Draw Identity 99% 90% 80% 70%

Popular Name: Econazole Nitrate Econazole Nitrate

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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) 5.12 13.39 -39 1 3 1 28 382.698 6 ↓
Mid Mid (pH 6-8) 5.12 12.87 -6.09 0 3 0 27 381.69 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-Dichloro-5-fluoropyrimidine 2,4-Dichloro-5-fluoropyrimidine

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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) 2.12 -0.07 -3.28 0 2 0 26 166.97 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Troglitazone Troglitazone

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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) 5.03 7.5 -12.36 2 6 0 85 441.549 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Troglitazone Troglitazone

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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) 5.03 7.29 -12.45 2 6 0 85 441.549 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Troglitazone Troglitazone

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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) 5.03 7.5 -12.94 2 6 0 85 441.549 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Troglitazone Troglitazone

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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) 5.03 7.3 -12.93 2 6 0 85 441.549 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-difluorophenol 3,4-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) 1.71 1.76 -5.23 1 1 0 20 130.093 0 ↓

Analogs

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Popular Name: 3,4,5-Trifluorophenol 3,4,5-Trifluorophenol

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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) 1.81 1.82 -5.33 1 1 0 20 148.083 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-Difluorophenol 2,6-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) 1.95 1.78 -5.91 1 1 0 20 130.093 0 ↓

Analogs

34563029
34563029

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Popular Name: 3-Fluoroanisole 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) 2.13 3.87 -3.5 0 1 0 9 126.13 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-Difluoroanisole 2,6-Difluoroanisole

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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) 2.23 4.05 -5.96 0 1 0 9 144.12 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-Bis(trifluoromethyl)benzoyl chloride 3,5-Bis(trifluoromethyl)benzoyl …

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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) 4.11 5.61 -3.18 0 1 0 17 276.563 3 ↓

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Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-4-hydroxybenzonitrile 2-fluoro-4-hydroxybenzonitrile

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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) 1.31 2.08 -7.65 1 2 0 44 137.113 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Fluorobenzonitrile 2-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) 1.81 4.92 -7.31 0 1 0 24 121.114 0 ↓

Analogs

164883
164883
39278278
39278278

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-Difluorobenzonitrile 2,4-Difluorobenzonitrile

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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 4.98 -5.71 0 1 0 24 139.104 0 ↓

Analogs

39128310
39128310

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Popular Name: 2',4'-Difluoro-3'-methoxyacetophenone 2',4'-Difluoro-3'-methoxyacetoph…

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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) 2.08 3.16 -13.42 0 2 0 26 186.157 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Methoxy-3-(trifluoromethyl)aniline 4-Methoxy-3-(trifluoromethyl)ani…

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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) 1.89 2.75 -5.97 2 2 0 35 191.152 2 ↓

Analogs

6091910
6091910

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Popular Name: 2-Amino-5-chlorobenzotrifluoride 2-Amino-5-chlorobenzotrifluoride

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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) 2.92 1.31 -3.13 2 1 0 26 195.571 1 ↓

Analogs

34974896
34974896

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Popular Name: 4-(trifluoromethyl)aniline 4-(trifluoromethyl)aniline

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.91 3.37 -3.6 2 1 0 26 161.126 1 ↓

Analogs

3676531
3676531
5833499
5833499
39244520
39244520

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Popular Name: 3'-Aminoacetophenone 3'-Aminoacetophenone

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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) 0.89 2.83 -7.35 2 2 0 43 135.166 1 ↓

Analogs

32162386
32162386
32166578
32166578
39048653
39048653
39051892
39051892
39642419
39642419

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Popular Name: 2,3,5-Trimethylpyridine 2,3,5-Trimethylpyridine

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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 4.54 -4.46 0 1 0 13 121.183 0 ↓
Lo Low (pH 4.5-6) 1.97 4.79 -26.19 1 1 1 14 122.191 0 ↓

Analogs

39051303
39051303

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Popular Name: 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine 2-(chloromethyl)-4-methoxy-3,5-d…

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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 1.15 -5.2 0 2 0 22 185.654 2 ↓
Mid Mid (pH 6-8) 2.54 1.21 -30.45 1 2 1 23 186.662 2 ↓

Analogs

33787715
33787715

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Popular Name: 4-(2-Methoxyethyl)phenol 4-(2-Methoxyethyl)phenol

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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) 1.62 2.15 -4.28 1 2 0 29 152.193 3 ↓

Analogs

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Popular Name: (R)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine (R)-2,5-Dihydro-3,6-dimethoxy-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) 1.10 -1.76 -3.42 0 4 0 43 184.239 3 ↓

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Draw Identity 99% 90% 80% 70%

Popular Name: Dibenzosuberone Dibenzosuberone

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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 8.77 -8.47 0 1 0 17 208.26 0 ↓

Analogs

5849484
5849484
33790772
33790772
34615661
34615661

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Popular Name: 5-Chloro-2-(methylamino)benzophenone 5-Chloro-2-(methylamino)benzophe…

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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) 3.86 0.21 -6.62 1 2 0 29 245.709 3 ↓

Analogs

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Popular Name: 3-Benzyl-5-chlorobenzoisoxazole 3-Benzyl-5-chlorobenzoisoxazole

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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) 4.58 8.79 -6.91 0 2 0 26 243.693 2 ↓

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