UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8613160
8613160
8613161
8613161
8614390
8614390
8652273
8652273
8652274
8652274

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Popular Name: INOSINE INOSINE

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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) -1.82 -4.36 -29.95 4 9 0 133 268.229 2 ↓
Hi High (pH 8-9.5) -1.36 -5.48 -60.84 3 9 -1 137 267.221 2 ↓

Analogs

4015531
4015531

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Popular Name: Inosine Inosine

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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) -1.82 -4.43 -23.87 4 9 0 133 268.229 2 ↓
Hi High (pH 8-9.5) -1.36 -6.52 -59.54 3 9 -1 137 267.221 2 ↓

Analogs

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Popular Name: PENTYLENETETRAZOL PENTYLENETETRAZOL

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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) 0.51 2.96 -10.94 0 4 0 44 138.174 0 ↓

Analogs

4098919
4098919
4098920
4098920
4475321
4475321
11682059
11682059
16969582
16969582

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Popular Name: PODOPHYLLOTOXIN PODOPHYLLOTOXIN

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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) 1.32 4.95 -16.81 1 8 0 93 414.41 4 ↓

Analogs

896755
896755

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Popular Name: Metolazone Metolazone

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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 3.79 -17.4 3 6 0 93 365.842 2 ↓

Analogs

601254
601254

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Popular Name: Metolazone Metolazone

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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 3.71 -17.08 3 6 0 93 365.842 2 ↓

Analogs

1639
1639
931
931

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Popular Name: Loxapine Succinate Loxapine Succinate

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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) 4.25 7.92 -8.16 0 4 0 33 327.815 1 ↓

Analogs

22001248
22001248

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Popular Name: Isradipine Isradipine

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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) 3.81 8.59 -22.3 1 8 0 104 371.393 6 ↓

Analogs

607939
607939

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Popular Name: Isradipine Isradipine

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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) 3.81 8.58 -22.86 1 8 0 104 371.393 6 ↓

Analogs

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Popular Name: Edrophonium chloride Edrophonium 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) -2.06 4.96 -29.63 1 2 1 20 166.244 2 ↓
Hi High (pH 8-9.5) -2.06 5.72 -41.43 0 2 0 23 165.236 2 ↓

Analogs

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Popular Name: Chlormezanone Chlormezanone

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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) 1.44 3.11 -13.33 0 4 0 54 273.741 1 ↓

Analogs

2944385
2944385
3651055
3651055

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Popular Name: HYDROXYPROGESTERONE HYDROXYPROGESTERONE

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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) 2.86 7.53 -9.7 1 3 0 54 330.468 1 ↓

Analogs

2944385
2944385
3651055
3651055

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Popular Name: HYDROXYPROGESTERONE HYDROXYPROGESTERONE

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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) 2.86 8.23 -10.11 1 3 0 54 330.468 1 ↓

Analogs

2944385
2944385
3651055
3651055

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Popular Name: HYDROXYPROGESTERONE HYDROXYPROGESTERONE

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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) 2.86 7.36 -9.61 1 3 0 54 330.468 1 ↓

Analogs

3651055
3651055
4026263
4026263
4026264
4026264
4081723
4081723
4081725
4081725

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Popular Name: HYDROXYPROGESTERONE HYDROXYPROGESTERONE

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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) 2.86 7.5 -10.57 1 3 0 54 330.468 1 ↓

Analogs

3984049
3984049
3984050
3984050
3984051
3984051
4083557
4083557
4535851
4535851

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Popular Name: CORTISONE CORTISONE

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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) 1.43 4.8 -14.45 2 5 0 92 360.45 2 ↓

Analogs

3984050
3984050
3984051
3984051
4083557
4083557
4535851
4535851
17013382
17013382

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Popular Name: CORTISONE CORTISONE

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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) 1.43 4.32 -16.13 2 5 0 92 360.45 2 ↓

Analogs

3984051
3984051
4083557
4083557
4535851
4535851
17013382
17013382
3830602
3830602

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Popular Name: CORTISONE CORTISONE

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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) 1.43 4.74 -19.42 2 5 0 92 360.45 2 ↓

Analogs

4083557
4083557
4535851
4535851
3830602
3830602

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Popular Name: CORTISONE CORTISONE

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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) 1.43 4.71 -15.34 2 5 0 92 360.45 2 ↓

Analogs

496649
496649

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Popular Name: N,N-Diethyl-3-methylbenzamide N,N-Diethyl-3-methylbenzamide

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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 6.93 -8.5 0 2 0 20 191.274 3 ↓

Analogs

43772721
43772721
43772723
43772723
43772724
43772724
43772726
43772726
43772732
43772732

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Popular Name: MEVASTATIN MEVASTATIN

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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 10.9 -13.8 1 5 0 73 390.52 7 ↓

Analogs

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Popular Name: MEVASTATIN MEVASTATIN

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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 10.68 -12.93 1 5 0 73 390.52 7 ↓

Analogs

43772721
43772721
43772723
43772723
43772724
43772724
43772726
43772726
43772732
43772732

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Popular Name: MEVASTATIN MEVASTATIN

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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 10.79 -11.72 1 5 0 73 390.52 7 ↓

Analogs

3831450
3831450

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Popular Name: MEVASTATIN MEVASTATIN

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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 10.52 -8.63 1 5 0 73 390.52 7 ↓

Analogs

2577829
2577829

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Popular Name: 2,6-Di-tert-butyl-4-methylphenol 2,6-Di-tert-butyl-4-methylphenol

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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) 5.43 7.87 -2.46 1 1 0 20 220.356 2 ↓

Analogs

8214987
8214987
8214988
8214988
8214989
8214989

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Popular Name: filipin filipin

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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) 2.18 -14.89 -14.02 9 11 0 208 654.838 5 ↓

Analogs

8214988
8214988
8214989
8214989
8214986
8214986

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Popular Name: filipin filipin

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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) 2.18 -11.68 -13.1 9 11 0 208 654.838 5 ↓

Analogs

8214989
8214989
8214986
8214986
8214987
8214987

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Popular Name: filipin filipin

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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) 2.18 -12.49 -13.67 9 11 0 208 654.838 5 ↓

Analogs

8214986
8214986
8214987
8214987
8214988
8214988

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Popular Name: filipin filipin

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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) 2.18 -13.03 -12.41 9 11 0 208 654.838 5 ↓

Analogs

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Popular Name: (2-hydroxy-4-methoxyphenyl)(4-methylphenyl)methanone (2-hydroxy-4-methoxyphenyl)(4-me…

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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) 3.81 5.14 -8.02 1 3 0 47 242.274 3 ↓
Hi High (pH 8-9.5) 3.81 5.92 -47.76 0 3 -1 49 241.266 3 ↓

Analogs

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Popular Name: ISOBUTAMBEN ISOBUTAMBEN

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 5.39 -6.68 2 3 0 52 193.246 4 ↓

Analogs

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Popular Name: NICOPHOLINE NICOPHOLINE

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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) -0.49 2.08 -8.39 0 4 0 42 192.218 1 ↓

Analogs

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Popular Name: Trichloroisocyanuric acid Trichloroisocyanuric 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) 0.18 3.38 -2.48 0 6 0 66 232.41 0 ↓

Analogs

6855191
6855191
6855194
6855194
6855198
6855198
6855201
6855201
39332519
39332519

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Popular Name: TERPENE HYDRATE TERPENE HYDRATE

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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 0.24 -4.02 2 2 0 40 172.268 1 ↓

Analogs

4975824
4975824

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Popular Name: 2-Ethylhexyl 2-cyano-3,3-diphenylacrylate 2-Ethylhexyl 2-cyano-3,3-dipheny…

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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) 6.54 15.46 -5.79 0 3 0 50 361.485 10 ↓

Analogs

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Popular Name: CASANTHRANOL [cascaroside A shown] CASANTHRANOL [cascaroside A shown]

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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) -0.08 -7.53 -18.4 7 10 0 177 434.397 4 ↓
Hi High (pH 8-9.5) -0.08 -6.54 -69.77 6 10 -1 180 433.389 4 ↓
Hi High (pH 8-9.5) -0.08 -6.54 -65.63 6 10 -1 180 433.389 4 ↓

Analogs

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Popular Name: Isovaleramide Isovaleramide

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.70 0.35 -6.78 2 2 0 43 101.149 2 ↓

Analogs

34480190
34480190

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Popular Name: 7-HYDROXY-4-METHYLCOUMARIN 7-HYDROXY-4-METHYLCOUMARIN

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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 3.72 -12.48 1 3 0 50 176.171 0 ↓

Analogs

43273992
43273992

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Popular Name: NONIVAMIDE NONIVAMIDE

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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) 4.12 -1.49 -9.46 2 4 0 58 293.407 10 ↓

Analogs

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Popular Name: Phenothiazine Phenothiazine

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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 7.11 -6.01 1 1 0 16 199.278 0 ↓

Analogs

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Popular Name: 4'-Hydroxypropiophenone 4'-Hydroxypropiophenone

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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 2.94 -8.03 1 2 0 37 150.177 2 ↓

Analogs

33804374
33804374

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Popular Name: 2-(HYDROXYMETHYL)PYRIDINE 2-(HYDROXYMETHYL)PYRIDINE

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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) 0.11 0.18 -5.47 1 2 0 33 109.128 1 ↓
Lo Low (pH 4.5-6) 0.11 0.59 -30.28 2 2 1 34 110.136 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Guaiacol Guaiacol

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And 44 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) 1.30 1.63 -5.69 1 2 0 29 124.139 1 ↓

Analogs

12409058
12409058

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Popular Name: 5-Hydroxy-2-adamantanone 5-Hydroxy-2-adamantanone

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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) 1.14 2.39 -5.27 1 2 0 37 166.22 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Fluroxene Fluroxene

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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 2.75 -4.47 0 1 0 9 126.077 3 ↓

Analogs

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Popular Name: HEXYLENE GLYCOL HEXYLENE GLYCOL

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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) 0.49 -0.03 -3.97 2 2 0 40 118.176 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: HEXYLENE GLYCOL HEXYLENE GLYCOL

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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) 0.49 -0.39 -4.1 2 2 0 40 118.176 2 ↓

Analogs

39343114
39343114

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Popular Name: 4-METHYLPYRAZOLE 4-METHYLPYRAZOLE

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.70 1.64 -4.93 1 2 0 29 82.106 0 ↓

Analogs

1238584
1238584

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Popular Name: 3-Methyl-1-pentyn-3-ol 3-Methyl-1-pentyn-3-ol

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And 14 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) 1.15 1.44 -3.1 1 1 0 20 98.145 1 ↓

Analogs

1238583
1238583

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Methyl-1-pentyn-3-ol 3-Methyl-1-pentyn-3-ol

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And 15 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) 1.15 1.4 -3.15 1 1 0 20 98.145 1 ↓

Parameters Provided:

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