UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-Chloro-1H-pyrazole 4-Chloro-1H-pyrazole

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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) 0.93 1.48 -4.69 1 2 0 29 102.524 0 ↓

Analogs

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Popular Name: 4-Bromo-1H-pyrazole 4-Bromo-1H-pyrazole

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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 1.58 -4.64 1 2 0 29 146.975 0 ↓

Analogs

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Popular Name: 4-Iodo-3,5-dimethyl-1H-pyrazole 4-Iodo-3,5-dimethyl-1H-pyrazole

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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) 1.77 3.13 -4.55 1 2 0 29 222.029 0 ↓

Analogs

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Popular Name: 4-Bromo-3,5-dimethyl-1H-pyrazole 4-Bromo-3,5-dimethyl-1H-pyrazole

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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 2.69 -4.89 1 2 0 29 175.029 0 ↓

Analogs

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Popular Name: 4-Chloro-3,5-dimethyl-1H-pyrazole 4-Chloro-3,5-dimethyl-1H-pyrazole

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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) 1.37 2.6 -4.85 1 2 0 29 130.578 0 ↓

Analogs

366342
366342
383719
383719
2146854
2146854
2986611
2986611
4201739
4201739

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Popular Name: 4-Formylphenyl 4-methoxybenzoate 4-Formylphenyl 4-methoxybenzoate

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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) 3.65 3.28 -11.98 0 4 0 52 256.257 5 ↓

Analogs

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Popular Name: 4-(1H-1,2,4-Triazol-1-ylmethyl)aniline 4-(1H-1,2,4-Triazol-1-ylmethyl)a…

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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) 0.13 5.46 -9.04 2 4 0 57 174.207 2 ↓

Analogs

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Popular Name: (R)-1,4-Benzodioxan-2-carboxypiperazine (R)-1,4-Benzodioxan-2-carboxypip…

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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) 0.10 2.9 -11.66 1 5 0 51 248.282 1 ↓

Analogs

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Popular Name: (S)-1,4-BENZODIOXAN-2-CARBOXYPIPERAZINE (S)-1,4-BENZODIOXAN-2-CARBOXYPIP…

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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) 0.10 2.88 -11.71 1 5 0 51 248.282 1 ↓

Analogs

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Popular Name: 2,6,10-Trimethyltripyrazolo[1,5-a:1',5'-c:-1'',5''-e][1,3,5]triazine 2,6,10-Trimethyltripyrazolo[1,5-…

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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) 1.65 8.34 -12.27 0 6 0 52 240.27 0 ↓

Analogs

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Popular Name: MFCD16613951 MFCD16613951

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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 0.07 -3.63 1 2 0 21 163.22 4 ↓

Analogs

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Popular Name: 5-chloro-3-methyl-1H-pyrazole 5-chloro-3-methyl-1H-pyrazole

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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 1.95 -3.41 1 2 0 29 116.551 0 ↓
Ref Reference (pH 7) 1.26 2.23 -9.21 0 2 0 25 116.551 0 ↓
Mid Mid (pH 6-8) 1.34 1.95 -5.31 1 2 0 29 116.551 0 ↓

Analogs

21812985
21812985
26481131
26481131
26516507
26516507
37134837
37134837
39038763
39038763

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Popular Name: N-Isopropyl-4-methoxyaniline N-Isopropyl-4-methoxyaniline

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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) 3.19 0.12 -3.7 1 2 0 21 165.236 3 ↓

Analogs

39244714
39244714
39245342
39245342

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Popular Name: 3-Aminoquinoline 3-Aminoquinoline

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 2.76 -6.49 2 2 0 39 144.177 0 ↓
Mid Mid (pH 6-8) 1.57 3.03 -28.13 3 2 1 40 145.185 0 ↓

Analogs

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Popular Name: 4-Ethoxycarbonylphenyl isothiocyanate 4-Ethoxycarbonylphenyl isothiocy…

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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) 3.85 1.57 -5.66 0 3 0 38 207.254 4 ↓

Analogs

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Popular Name: 2-Hydrazino-5-methyl-1,3,4-thiadiazole 2-Hydrazino-5-methyl-1,3,4-thiad…

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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) -0.39 0.4 -8.89 3 4 0 64 130.176 1 ↓

Analogs

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Popular Name: 2-Bromo-5-methyl-1,3,4-thiadiazole 2-Bromo-5-methyl-1,3,4-thiadiazole

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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) 1.18 1.94 -6.21 0 2 0 26 179.042 0 ↓

Analogs

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Popular Name: 3-Bromo-1H-1,2,4-triazole 3-Bromo-1H-1,2,4-triazole

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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) 0.52 2.32 -10.68 1 3 0 42 147.963 0 ↓
Mid Mid (pH 6-8) 0.52 2.07 -32.12 0 3 -1 40 146.955 0 ↓
Mid Mid (pH 6-8) 0.52 2.24 -4.32 1 3 0 42 147.963 0 ↓

Analogs

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Popular Name: 1H-Pyrazolo[3,4-b]pyridin-3-amine 1H-Pyrazolo[3,4-b]pyridin-3-amine

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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) 0.33 1.35 -13.78 3 4 0 68 134.142 0 ↓
Ref Reference (pH 7) 0.33 1.39 -8.53 3 4 0 68 134.142 0 ↓
Mid Mid (pH 6-8) -0.93 1.42 -35.92 2 4 -1 67 133.134 0 ↓

Analogs

39274805
39274805
39383536
39383536

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Popular Name: 3-Hydrazino-6-phenylpyridazine 3-Hydrazino-6-phenylpyridazine

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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) 1.66 3.87 -11.09 3 4 0 64 186.218 2 ↓

Analogs

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Popular Name: 4-Methoxy-3-(methoxymethyl)benzaldehyde 4-Methoxy-3-(methoxymethyl)benza…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.67 3.48 -6.6 0 3 0 36 180.203 4 ↓

Analogs

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Popular Name: 2-(Difluoromethoxy)benzaldehyde 2-(Difluoromethoxy)benzaldehyde

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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) 2.29 2.71 -7.39 0 2 0 26 172.13 3 ↓

Analogs

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Popular Name: 4-Methyl-5-thiazolecarboxaldehyde 4-Methyl-5-thiazolecarboxaldehyde

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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) 1.12 2.11 -8.5 0 2 0 30 127.168 1 ↓

Analogs

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Popular Name: 2-AMINO-6-CHLOROBENZOTHIAZOLE 2-AMINO-6-CHLOROBENZOTHIAZOLE

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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 3.72 -5.7 2 2 0 39 184.651 0 ↓

Analogs

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Popular Name: 2-methyl-1H-indole-3-carbaldehyde 2-methyl-1H-indole-3-carbaldehyde

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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) 2.10 0.62 -12.61 1 2 0 33 159.188 1 ↓

Analogs

3882757
3882757

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Popular Name: 2,3-Dihydro-1-benzofuran-2-ylmethanol 2,3-Dihydro-1-benzofuran-2-ylmet…

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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 1.81 -7.54 1 2 0 29 150.177 1 ↓

Analogs

3882756
3882756

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Popular Name: 2,3-Dihydro-1-benzofuran-2-ylmethanol 2,3-Dihydro-1-benzofuran-2-ylmet…

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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 1.76 -7.52 1 2 0 29 150.177 1 ↓

Analogs

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Popular Name: 3,4-Dihydroquinolin-1(2H)-amine 3,4-Dihydroquinolin-1(2H)-amine

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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) 1.94 3.82 -3.56 2 2 0 29 148.209 0 ↓

Analogs

31885610
31885610

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Popular Name: 3-(4-Bromophenyl)-1H-pyrazole-4-carbaldehyde 3-(4-Bromophenyl)-1H-pyrazole-4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 4.82 -7.57 1 3 0 46 251.083 2 ↓
Ref Reference (pH 7) 2.52 4.77 -7.5 1 3 0 46 251.083 2 ↓

Analogs

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Popular Name: 2-Hydrazino-1,3-benzoxazole 2-Hydrazino-1,3-benzoxazole

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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 -0.5 -8.53 3 4 0 64 149.153 1 ↓
Mid Mid (pH 6-8) 1.10 -0.68 -48.53 4 4 1 66 150.161 1 ↓

Analogs

41684193
41684193
41684194
41684194
42460686
42460686

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Popular Name: 3-Chloro-4-morpholino-1,2,5-thiadiazole 3-Chloro-4-morpholino-1,2,5-thia…

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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) 1.40 1.79 -3.34 0 4 0 38 205.67 1 ↓

Analogs

34963204
34963204

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Popular Name: 4-(Trifluoromethoxy)phenylhydrazine hydrochloride 4-(Trifluoromethoxy)phenylhydraz…

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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 -2.84 -3.97 3 3 0 47 192.14 3 ↓

Analogs

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Popular Name: 4-Hydrazinopyridine hydrochloride 4-Hydrazinopyridine hydrochloride

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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) 0.07 0.83 -26.76 4 3 1 56 110.14 0 ↓
Lo Low (pH 4.5-6) -0.11 0.69 -28.88 4 3 1 52 110.14 1 ↓

Analogs

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Popular Name: 3-(Chloromethyl)-4-methoxybenzaldehyde 3-(Chloromethyl)-4-methoxybenzal…

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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) 2.29 1.77 -8.6 0 2 0 26 184.622 3 ↓

Analogs

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Popular Name: 2-Chloro-1-phenyl-1H-indole-3-carbaldehyde 2-Chloro-1-phenyl-1H-indole-3-ca…

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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) 4.02 2.33 -8.58 0 2 0 22 255.704 2 ↓

Analogs

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Popular Name: 1-Isopropyl-1H-pyrazole-4-carbaldehyde 1-Isopropyl-1H-pyrazole-4-carbal…

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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) 0.84 3.42 -10.68 0 3 0 35 138.17 2 ↓

Analogs

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Popular Name: 1H-Pyrazole-4-carbaldehyde 1H-Pyrazole-4-carbaldehyde

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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) 0.04 0.71 -8.04 1 3 0 46 96.089 1 ↓

Analogs

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Popular Name: 1,2-Dimethyl-1H-imidazole-5-carbaldehyde 1,2-Dimethyl-1H-imidazole-5-carb…

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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 3.22 -8.55 0 3 0 35 124.143 1 ↓
Mid Mid (pH 6-8) 0.11 3.66 -35.63 1 3 1 36 125.151 1 ↓

Analogs

32115934
32115934
32222839
32222839

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Popular Name: 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde 3,5-Dimethyl-1-phenyl-1H-pyrazol…

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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 6.44 -11.47 0 3 0 35 200.241 2 ↓

Analogs

20216484
20216484

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Popular Name: 4-Formyl-2-isopropylthiazole 4-Formyl-2-isopropylthiazole

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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) 1.67 3.43 -11.4 0 2 0 30 155.222 2 ↓

Analogs

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Popular Name: Thiazole-4-carboxaldehyde Thiazole-4-carboxaldehyde

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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) 0.90 1.3 -6.24 0 2 0 30 113.141 1 ↓

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Popular Name: 2-Methylthiazole-5-carbaldehyde 2-Methylthiazole-5-carbaldehyde

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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) 0.61 2.3 -8.49 0 2 0 30 127.168 1 ↓

Analogs

36765599
36765599
39284966
39284966

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Popular Name: 10-Methyl-10H-phenothiazine-3-carbaldehyde 10-Methyl-10H-phenothiazine-3-ca…

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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) 3.84 0.77 -12.88 0 2 0 22 241.315 1 ↓

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Popular Name: Quinoxaline-2-carbaldehyde Quinoxaline-2-carbaldehyde

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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) 1.76 2.65 -8.14 0 3 0 43 158.16 1 ↓

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Popular Name: 4-Formylbenzenesulfonamide 4-Formylbenzenesulfonamide

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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) 0.42 -4.64 -13.67 2 4 0 77 185.204 2 ↓

Analogs

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Popular Name: 4-Methyl-1H-imidazole-2-carbaldehyde 4-Methyl-1H-imidazole-2-carbalde…

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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) 0.04 1.56 -14.11 1 3 0 46 110.116 1 ↓
Mid Mid (pH 6-8) 0.04 1.97 -33.5 2 3 1 47 111.124 1 ↓

Analogs

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Popular Name: 1-Methyl-2-imidazolecarboxaldehyde 1-Methyl-2-imidazolecarboxaldehyde

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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 2.67 -7.07 0 3 0 35 110.116 1 ↓
Mid Mid (pH 6-8) -0.11 3.13 -34.07 1 3 1 36 111.124 1 ↓

Analogs

34328207
34328207

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Popular Name: 1,3-Benzothiazole-2-carbaldehyde 1,3-Benzothiazole-2-carbaldehyde

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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 3.82 -8.74 0 2 0 30 163.201 1 ↓

Analogs

12958565
12958565
34963140
34963140

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Popular Name: 5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde 5-Chloro-3-methyl-1-phenyl-1H-py…

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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) 2.40 2.13 -9.98 0 3 0 35 220.659 2 ↓

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Popular Name: 5-Bromo-2-furaldehyde 5-Bromo-2-furaldehyde

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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) 1.92 3.01 -4.15 0 2 0 30 174.981 1 ↓

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page.format = basic
page.num = 1
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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 'matrix' 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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