UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2387243
2387243
2387247
2387247
4072072
4072072
4072074
4072074

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Popular Name: 1-ACENAPHTHENOL 1-ACENAPHTHENOL

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.28 -1.69 -6.83 1 1 0 20 170.211 0 ↓

Analogs

2387243
2387243
2387247
2387247
4072072
4072072
4072074
4072074

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Popular Name: 1-ACENAPHTHENOL 1-ACENAPHTHENOL

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.28 -1.69 -6.82 1 1 0 20 170.211 0 ↓

Analogs

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Popular Name: Acetohydroxamic acid Acetohydroxamic 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) -0.86 -1.54 -12.98 2 3 0 49 75.067 0 ↓

Analogs

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Popular Name: 3-Acetoxybenzo[b]furan 3-Acetoxybenzo[b]furan

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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 5.9 -8.53 0 3 0 39 176.171 2 ↓

Analogs

39134645
39134645

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Popular Name: 2-Acetamidothiazole 2-Acetamidothiazole

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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) 0.21 2.03 -13.27 1 3 0 42 142.183 1 ↓

Analogs

22201142
22201142

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Popular Name: 5-ACETYL-2,2'-BITHIENYL 5-ACETYL-2,2'-BITHIENYL

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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) 3.44 7.02 -6.48 0 1 0 17 208.307 2 ↓

Analogs

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Popular Name: 1-(4-Bromothiophen-2-yl)ethanone 1-(4-Bromothiophen-2-yl)ethanone

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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 0.06 -6.49 0 1 0 17 205.076 1 ↓

Analogs

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Popular Name: 5-Acetyl-2,3-dihydrobenzo[b]furan 5-Acetyl-2,3-dihydrobenzo[b]furan

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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) 1.96 4.84 -7.94 0 2 0 26 162.188 2 ↓

Analogs

32151515
32151515
38271650
38271650

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Popular Name: 2-Acetyl-5-methylfuran 2-Acetyl-5-methylfuran

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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 3.91 -5.99 0 2 0 30 124.139 1 ↓

Analogs

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Popular Name: 2-Acetyl-3-methylthiophene 2-Acetyl-3-methylthiophene

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.11 4.72 -5.72 0 1 0 17 140.207 1 ↓

Analogs

39049779
39049779

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Popular Name: 2-acetyl-5-methylthiophene 2-acetyl-5-methylthiophene

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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) 1.96 4.81 -6.33 0 1 0 17 140.207 1 ↓

Analogs

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Popular Name: 4-ACETYLPHENYL ISOCYANATE 4-ACETYLPHENYL ISOCYANATE

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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 2.96 -6.02 0 3 0 47 161.16 2 ↓

Analogs

34478601
34478601
39350383
39350383

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Popular Name: 3-acetylthiophene 3-acetylthiophene

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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) 1.42 3.83 -7.32 0 1 0 17 126.18 1 ↓

Analogs

3642749
3642749

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Popular Name: N-1-Adamantylurea N-1-Adamantylurea

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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) 2.30 -4.38 -7.73 3 3 0 55 194.278 1 ↓

Analogs

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Popular Name: 2,1,3-benzothiadiazol-4-amine 2,1,3-benzothiadiazol-4-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) 1.47 0.56 -5.62 2 3 0 52 151.194 0 ↓

Analogs

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Popular Name: 2-Amino-6-bromobenzothiazole 2-Amino-6-bromobenzothiazole

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 3.82 -5.69 2 2 0 39 229.102 0 ↓

Analogs

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Popular Name: 6-amino-5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione 6-amino-5-bromo-1-methylpyrimidi…

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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) -0.27 0.03 -12.02 3 5 0 81 220.026 0 ↓

Analogs

34446935
34446935
39048560
39048560

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Popular Name: 3-Amino-5-tert-butylisoxazole 3-Amino-5-tert-butylisoxazole

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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 3.51 -5.52 2 3 0 52 140.186 1 ↓

Analogs

59747
59747

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Popular Name: 5-tert-butyl-1,3,4-thiadiazol-2-amine 5-tert-butyl-1,3,4-thiadiazol-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) 1.58 2.56 -7.42 2 3 0 52 157.242 1 ↓

Analogs

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Popular Name: 2-Amino-5-chlorobenzonitrile 2-Amino-5-chlorobenzonitrile

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.78 3.26 -5.07 2 2 0 50 152.584 0 ↓

Analogs

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Popular Name: 2-AMINO-4-CHLOROBENZOTHIAZOLE 2-AMINO-4-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) 2.61 3.74 -8.05 2 2 0 39 184.651 0 ↓

Analogs

34452781
34452781

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Popular Name: 3-Amino-2-chloro-6-picoline 3-Amino-2-chloro-6-picoline

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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) 1.20 1.71 -5.83 2 2 0 39 142.589 0 ↓

Analogs

38415889
38415889

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Popular Name: 3-Amino-6-chloro-4-picoline 3-Amino-6-chloro-4-picoline

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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) 1.75 1.79 -5.57 2 2 0 39 142.589 0 ↓

Analogs

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Popular Name: 2-amino-5-(4-chlorophenyl)-1,3,4-thiadiazole 2-amino-5-(4-chlorophenyl)-1,3,4…

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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) 2.73 4.2 -7.38 2 3 0 52 211.677 1 ↓

Analogs

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Popular Name: 2-Amino-4-chloropyridine 2-Amino-4-chloropyridine

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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 1.95 -4.77 2 2 0 39 128.562 0 ↓

Analogs

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Popular Name: 5-AMINO-4-CYANO-3-CYANOMETHYLPYRAZOLE 5-AMINO-4-CYANO-3-CYANOMETHYLPYR…

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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) -0.19 1.32 -12.45 3 5 0 102 147.141 1 ↓

Analogs

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Popular Name: 3-AMINO-2-CYCLOHEXEN-1-ONE 3-AMINO-2-CYCLOHEXEN-1-ONE

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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) 0.43 1.69 -14.57 2 2 0 43 111.144 0 ↓
Hi High (pH 8-9.5) 1.10 1.79 -37.85 1 2 -1 47 110.136 0 ↓

Analogs

34439048
34439048

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Popular Name: 5-ethyl-1,3,4-thiadiazol-2-amine 5-ethyl-1,3,4-thiadiazol-2-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) 0.42 1.47 -7.65 2 3 0 52 129.188 1 ↓

Analogs

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Popular Name: 2-amino-5-ethylthio-1,3,4-thiadiazole 2-amino-5-ethylthio-1,3,4-thiadi…

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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) 1.23 1.78 -7.47 2 3 0 52 161.255 2 ↓

Analogs

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Popular Name: 3-Amino-4-methylthiophene-2-carboxamide 3-Amino-4-methylthiophene-2-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) 0.44 -0.94 -7.46 4 3 0 69 156.21 1 ↓
Lo Low (pH 4.5-6) 0.44 -1.07 -33.29 5 3 1 71 157.218 1 ↓

Analogs

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Popular Name: 2-AMINO-5-(METHYLTHIO)-1,3,4-THIADIAZOLE 2-AMINO-5-(METHYLTHIO)-1,3,4-THI…

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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 0.87 -9.85 2 3 0 52 147.228 1 ↓

Analogs

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Popular Name: 6-Bromoindole-3-carboxaldehyde 6-Bromoindole-3-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) 2.66 -0.21 -7.07 1 2 0 33 224.057 1 ↓

Analogs

34573633
34573633

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Popular Name: 2-Bromo-6-methylaniline 2-Bromo-6-methylaniline

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 -0.92 -2.64 2 1 0 26 186.052 0 ↓

Analogs

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Popular Name: 2-(bromomethyl)-1,3-benzothiazole 2-(bromomethyl)-1,3-benzothiazole

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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) 2.81 -1.46 -6.69 0 1 0 13 228.114 1 ↓

Analogs

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Popular Name: 5-BROMO-2-METHYLBENZOTHIAZOLE 5-BROMO-2-METHYLBENZOTHIAZOLE

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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) 2.87 5.34 -5.77 0 1 0 13 228.114 0 ↓

Analogs

1756251
1756251

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Popular Name: N-Bromomethyl-2,3-dichloromaleimide N-Bromomethyl-2,3-dichloromaleimide

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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) 1.72 3.39 -3.61 0 3 0 39 258.886 1 ↓

Analogs

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Popular Name: 4-Bromo-2-methylphenyl isocyanate 4-Bromo-2-methylphenyl isocyanate

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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) 2.95 0.79 -1.93 0 2 0 29 212.046 1 ↓

Analogs

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Popular Name: 3-Bromo-2-methylpropene 3-Bromo-2-methylpropene

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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) 2.24 3.94 -1.39 0 0 0 0 135.004 1 ↓

Analogs

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Popular Name: 3-Bromo-2-methylpyridine 3-Bromo-2-methylpyridine

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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) 1.90 3.86 -3.61 0 1 0 13 172.025 0 ↓
Lo Low (pH 4.5-6) 1.90 4.13 -30.98 1 1 1 14 173.033 0 ↓

Analogs

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Popular Name: 2-Bromo-5-methylthiophene 2-Bromo-5-methylthiophene

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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) 2.75 -0.23 -2.16 0 0 0 0 177.066 0 ↓

Analogs

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Popular Name: 3-bromo-4-methylthiophene 3-bromo-4-methylthiophene

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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) 2.71 0.22 -1.99 0 0 0 0 177.066 0 ↓

Analogs

39256070
39256070
39291202
39291202

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Popular Name: 4-Bromo-2-methylthiophene 4-Bromo-2-methylthiophene

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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) 2.56 -0.04 -2 0 0 0 0 177.066 0 ↓

Analogs

39256070
39256070

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Popular Name: 3-Bromo-5-methyl-2-thiophenecarboxaldehyde 3-Bromo-5-methyl-2-thiophenecarb…

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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 0.06 -4.81 0 1 0 17 205.076 1 ↓

Analogs

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Popular Name: 4-Bromo-3-methylthiophene-2-carbaldehyde 4-Bromo-3-methylthiophene-2-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) 2.74 0.27 -5.58 0 1 0 17 205.076 1 ↓

Analogs

39256070
39256070

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Popular Name: 4-Bromo-5-methylthiophene-2-carboxadehyde 4-Bromo-5-methylthiophene-2-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) 2.59 0.04 -5.6 0 1 0 17 205.076 1 ↓

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3704513
3704513

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Popular Name: 3-phenylisoxazol-5-amine 3-phenylisoxazol-5-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) 1.70 2.07 -8.59 2 3 0 52 160.176 1 ↓
Lo Low (pH 4.5-6) 1.70 2.02 -26.85 3 3 1 53 161.184 1 ↓

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Popular Name: 1-(2-Aminophenyl)pyrrole 1-(2-Aminophenyl)pyrrole

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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) 1.84 5.49 -3.93 2 2 0 31 158.204 1 ↓

Analogs

39052193
39052193

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Popular Name: 4-Aminopyrimidine 4-Aminopyrimidine

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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) -0.38 1.3 -5.6 2 3 0 52 95.105 0 ↓
Lo Low (pH 4.5-6) -0.38 -2.13 -30.79 3 3 1 53 96.113 0 ↓

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Popular Name: 2-Amino-4-(trifluoromethyl)pyrimidine 2-Amino-4-(trifluoromethyl)pyrim…

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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) 0.95 2.93 -5.95 2 3 0 52 163.102 1 ↓

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Popular Name: 5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine 5-(trifluoromethyl)-1,3,4-thiadi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.76 1.1 -6.97 2 3 0 52 169.131 1 ↓

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