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

Analogs

14263142
14263142

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Popular Name: ARTEMETHER ARTEMETHER

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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 5.87 -6.03 0 5 0 46 298.379 1 ↓

Analogs

43427402
43427402
8214360
8214360
8214363
8214363

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Popular Name: Artemether Artemether

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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 5.25 -6.37 0 5 0 46 298.379 1 ↓

Analogs

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Popular Name: Sanguinarine Sanguinarine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.80 8.33 -30.58 0 5 1 41 332.335 0 ↓

Analogs

3874182
3874182
3874181
3874181
3860508
3860508

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Popular Name: MEDRYSONE MEDRYSONE

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 8.66 -12.62 1 3 0 54 344.495 1 ↓

Analogs

3874182
3874182
3874181
3874181
3860508
3860508

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Popular Name: Medrysone Medrysone

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 9.07 -10.95 1 3 0 54 344.495 1 ↓

Analogs

3874182
3874182
3874181
3874181
3860508
3860508

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Popular Name: MEDRYSONE MEDRYSONE

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 7.91 -11 1 3 0 54 344.495 1 ↓

Analogs

3874182
3874182
3874181
3874181
3860508
3860508

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Popular Name: MEDRYSONE MEDRYSONE

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 8.88 -11.74 1 3 0 54 344.495 1 ↓

Analogs

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Popular Name: MEGESTROL ACETATE MEGESTROL 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) 4.09 11.67 -16.33 0 4 0 60 384.516 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: MEGESTROL ACETATE MEGESTROL 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) 4.09 3.88 -12.95 0 4 0 60 384.516 3 ↓

Analogs

3938628
3938628
4025285
4025285
4025286
4025286
4025288
4025288
4097467
4097467

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Popular Name: MEGESTROL ACETATE MEGESTROL 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) 4.09 11.66 -16.63 0 4 0 60 384.516 3 ↓

Analogs

3938628
3938628
4025285
4025285
4025286
4025286
4025288
4025288
4097467
4097467

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Popular Name: MEGESTROL ACETATE MEGESTROL 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) 4.09 11.6 -14.89 0 4 0 60 384.516 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Zaleplon Zaleplon

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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) 1.74 8.65 -16.75 0 6 0 74 305.341 3 ↓

Analogs

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Popular Name: Methimazole Methimazole

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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) -0.02 3.82 -17.6 1 2 0 21 114.173 0 ↓

Analogs

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Popular Name: METHOCARBAMOL METHOCARBAMOL

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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) 0.45 -1.29 -12.85 3 6 0 91 241.243 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: METHOCARBAMOL METHOCARBAMOL

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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) 0.45 -1.29 -12.84 3 6 0 91 241.243 7 ↓

Analogs

3831086
3831086
3831087
3831087

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Popular Name: METHYLPREDNISOLONE METHYLPREDNISOLONE

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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) 2.07 3.12 -16.05 3 5 0 95 374.477 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Methylprednisolone Methylprednisolone

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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) 2.07 3.59 -15.94 3 5 0 95 374.477 2 ↓

Analogs

3831086
3831086
3831087
3831087

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Popular Name: METHYLPREDNISOLONE METHYLPREDNISOLONE

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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) 2.07 3.85 -16.4 3 5 0 95 374.477 2 ↓

Analogs

3831086
3831086
3831087
3831087

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Popular Name: METHYLPREDNISOLONE METHYLPREDNISOLONE

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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) 2.07 3.49 -16.25 3 5 0 95 374.477 2 ↓

Analogs

5157919
5157919
6117108
6117108

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Popular Name: Fluorescein Fluorescein

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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) 3.69 5.23 -12.47 2 5 0 76 332.311 0 ↓
Hi High (pH 8-9.5) 3.69 6 -49.46 1 5 -1 79 331.303 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DL-Panthenol DL-Panthenol

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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) -1.06 -4.18 -8.88 4 5 0 90 205.254 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Dexpanthenol Dexpanthenol

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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) -1.06 -4.06 -8.96 4 5 0 90 205.254 6 ↓

Analogs

1849618
1849618

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Popular Name: NORETHINDRONE NORETHINDRONE

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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 7.81 -8.09 1 2 0 37 298.426 0 ↓

Analogs

1849618
1849618

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Popular Name: NORETHINDRONE NORETHINDRONE

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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 7.72 -8.68 1 2 0 37 298.426 0 ↓

Analogs

16968675
16968675

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Popular Name: Norethindrone Norethindrone

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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) 3.07 8.05 -6.86 1 2 0 37 298.426 0 ↓

Analogs

1849618
1849618

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Popular Name: NORETHINDRONE NORETHINDRONE

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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 7.84 -7.33 1 2 0 37 298.426 0 ↓
Ref Reference (pH 7) 3.23 7.89 -9.41 1 2 0 37 298.426 0 ↓

Analogs

1482190
1482190
3812889
3812889

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Popular Name: NORETHYNODREL NORETHYNODREL

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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) 3.07 8.02 -6.99 1 2 0 37 298.426 0 ↓

Analogs

1482190
1482190
3812889
3812889

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Popular Name: NORETHYNODREL NORETHYNODREL

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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) 3.07 8.02 -6.84 1 2 0 37 298.426 0 ↓

Analogs

1482190
1482190
3812889
3812889

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Popular Name: NORETHYNODREL NORETHYNODREL

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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) 3.07 7.83 -6.61 1 2 0 37 298.426 0 ↓

Analogs

5849525
5849525
187
187

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Popular Name: Oxybenzone Oxybenzone

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 4.46 -8.1 1 3 0 47 228.247 3 ↓
Hi High (pH 8-9.5) 3.37 5.24 -49.88 0 3 -1 49 227.239 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ritonavir Ritonavir

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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) 7.51 12.91 -25.34 4 11 0 146 720.962 18 ↓

Analogs

896703
896703
896887
896887
4127670
4127670
5761631
5761631
33865673
33865673

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Popular Name: Methsuximide Methsuximide

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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) 1.34 1.56 -8.17 0 3 0 37 203.241 1 ↓

Analogs

4127670
4127670
5761631
5761631
41654633
41654633
41654640
41654640
14257
14257

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Popular Name: Methsuximide Methsuximide

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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) 1.34 1.55 -8.34 0 3 0 37 203.241 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Chlorophenol 4-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) 2.14 2.16 -3.31 1 1 0 20 128.558 0 ↓

Analogs

4400
4400

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Popular Name: ABACAVIR SULFATE ABACAVIR SULFATE

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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) 1.22 5.36 -10.23 4 7 0 102 286.339 4 ↓
Lo Low (pH 4.5-6) 1.22 5.75 -28.77 5 7 1 103 287.347 4 ↓

Analogs

4400
4400

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Popular Name: ABACAVIR SULFATE ABACAVIR SULFATE

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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) 1.22 5.28 -10.07 4 7 0 102 286.339 4 ↓

Analogs

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Popular Name: Phenacemide Phenacemide

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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) 0.50 2.26 -19.27 3 4 0 72 178.191 2 ↓

Analogs

26895588
26895588
33754608
33754608

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Popular Name: Fenofibrate Fenofibrate

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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) 5.54 11.71 -10.11 0 4 0 53 360.837 7 ↓

Analogs

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Popular Name: Letrozole Letrozole

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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) 2.15 10.78 -13.32 0 5 0 78 285.31 3 ↓

Analogs

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Popular Name: TIBOLONE TIBOLONE

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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) 3.54 8.27 -7 1 2 0 37 312.453 0 ↓

Analogs

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Popular Name: TIBOLONE TIBOLONE

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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) 3.54 8.24 -6.8 1 2 0 37 312.453 0 ↓

Analogs

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Popular Name: Probucol Probucol

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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) 9.46 15.79 -5.38 2 2 0 40 516.857 8 ↓

Analogs

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Popular Name: FLUROFAMIDE FLUROFAMIDE

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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) -0.58 -2.83 -15.15 5 5 0 98 217.14 2 ↓

Analogs

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Popular Name: CLOFARABINE CLOFARABINE

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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) 0.12 -9.01 -11.06 4 8 0 119 303.681 2 ↓

Analogs

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Popular Name: CLOFARABINE CLOFARABINE

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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) 0.12 -8.62 -11.55 4 8 0 119 303.681 2 ↓

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Popular Name: Vorinostat Vorinostat

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And 26 More

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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 4.41 -18.87 3 5 0 78 264.325 8 ↓

Analogs

22055740
22055740
22055744
22055744
40878655
40878655

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Popular Name: CAPECITABINE CAPECITABINE

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 0.22 -16.78 3 9 0 123 359.354 7 ↓

Analogs

11616162
11616162

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Popular Name: Capecitabine Capecitabine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 -6.22 -19.62 3 9 0 122 359.354 7 ↓

Analogs

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Popular Name: Gefitinib Gefitinib

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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) 4.19 8.75 -11.24 1 7 0 69 446.91 8 ↓
Mid Mid (pH 6-8) 3.93 9.92 -78.3 3 7 2 75 448.926 7 ↓

Analogs

44699428
44699428
44699430
44699430

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Popular Name: ANASTROZOLE ANASTROZOLE

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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 11.46 -17.13 0 5 0 78 293.374 4 ↓

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = msspectrum
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 'msspectrum' 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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