UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4204159
4204159
3645182
3645182

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Popular Name: L-Cyclopropylglycine L-Cyclopropylglycine

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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) -2.17 -2.18 -43.94 3 3 0 67 115.132 2 ↓

Analogs

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Popular Name: DL-alpha-Phenylglycine DL-alpha-Phenylglycine

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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) -1.33 -1.92 -40.83 3 3 0 67 151.165 2 ↓

Analogs

4202383
4202383

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Popular Name: Amino-bicyclo[2.2.1]hept-5-en-2-yl-acetic acid Amino-bicyclo[2.2.1]hept-5-en-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) -1.14 -2.11 -43.94 3 3 0 67 167.208 2 ↓

Analogs

4202384
4202384

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Popular Name: Amino-bicyclo[2.2.1]hept-5-en-2-yl-acetic acid Amino-bicyclo[2.2.1]hept-5-en-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) -1.14 -2.26 -42.91 3 3 0 67 167.208 2 ↓

Analogs

4204144
4204144

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Popular Name: 2-Amino-2-(3-nitrophenyl)acetic acid 2-Amino-2-(3-nitrophenyl)acetic …

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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) -1.39 -1.41 -48.41 3 6 0 113 196.162 3 ↓

Analogs

4204118
4204118
4227572
4227572
4227573
4227573
4227575
4227575
4227576
4227576

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Popular Name: 2-Amino-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetic acid 2-Amino-2-(2,3-dihydrobenzo[b][1…

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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 -2.78 -44.79 3 5 0 86 209.201 2 ↓

Analogs

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Popular Name: (1Z)-2-(4-fluorophenyl)-N'-hydroxyethanimidamide (1Z)-2-(4-fluorophenyl)-N'-hydro…

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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 2.2 -7.71 3 3 0 59 168.171 2 ↓
Ref Reference (pH 7) 1.43 1.9 -39.69 4 3 1 58 169.179 3 ↓

Analogs

43388806
43388806

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Popular Name: 3-fluorobenzamidoxime 3-fluorobenzamidoxime

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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 1.45 -5.59 3 3 0 59 154.144 1 ↓
Ref Reference (pH 7) 0.39 1.24 -5.89 3 3 0 59 154.144 1 ↓
Ref Reference (pH 7) 0.52 1.29 -32.3 4 3 1 58 155.152 2 ↓

Analogs

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Popular Name: 2-Fluoro-N,4-dihydroxybenzimidamide 2-Fluoro-N,4-dihydroxybenzimidamide

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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) -0.01 -1.8 -31.07 5 4 1 78 171.151 2 ↓
Ref Reference (pH 7) -0.14 -1.86 -7.21 4 4 0 79 170.143 1 ↓
Hi High (pH 8-9.5) 0.28 1.49 -37.89 3 4 -1 78 169.135 1 ↓

Analogs

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Popular Name: N-Hydroxybutyramidine N-Hydroxybutyramidine

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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) 0.77 -0.09 -5.3 3 3 0 59 102.137 2 ↓
Ref Reference (pH 7) 0.90 -0.41 -30.27 4 3 1 58 103.145 3 ↓
Ref Reference (pH 7) 0.77 -0.45 -5.6 3 3 0 59 102.137 2 ↓

Analogs

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Popular Name: N-Hydroxy-hexanamidine N-Hydroxy-hexanamidine

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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 1.12 -5.49 3 3 0 59 130.191 4 ↓
Lo Low (pH 4.5-6) 1.78 1.15 -31.3 4 3 1 60 131.199 4 ↓
Lo Low (pH 4.5-6) 1.78 1.06 -31.49 4 3 1 60 131.199 4 ↓

Analogs

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Popular Name: N'-hydroxyadamantane-1-carboximidamide N'-hydroxyadamantane-1-carboximi…

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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) 2.27 2.96 -4.56 3 3 0 59 194.278 1 ↓
Ref Reference (pH 7) 2.27 3.04 -4.66 3 3 0 59 194.278 1 ↓
Lo Low (pH 4.5-6) 2.27 2.99 -30.03 4 3 1 60 195.286 1 ↓

Analogs

34480879
34480879
34480881
34480881
34599846
34599846
44239805
44239805
44239808
44239808

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Popular Name: 3-Boc-aminopyrrolidine 3-Boc-aminopyrrolidine

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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) 2.84 -2.53 -41.5 3 4 1 54 187.263 3 ↓
Hi High (pH 8-9.5) 6.20 10.72 -11.09 3 5 0 66 403.313 4 ↓

Analogs

3880882
3880882
34480879
34480879
34480881
34480881
34599846
34599846
44239805
44239805

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Popular Name: 3-Boc-aminopyrrolidine 3-Boc-aminopyrrolidine

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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) 2.84 -2.53 -41.47 3 4 1 54 187.263 3 ↓
Hi High (pH 8-9.5) -2.68 -6.61 -16.63 4 9 0 134 283.24 2 ↓

Analogs

34606511
34606511
44239813
44239813
44239816
44239816
4202829
4202829

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Popular Name: (S)-3-Boc-aminopiperidine (S)-3-Boc-aminopiperidine

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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 -2.64 -38.79 3 4 1 54 201.29 3 ↓

Analogs

4287556
4287556

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Popular Name: 2,3,4,5-Tetrafluoro-N-hydroxy-benzamidine 2,3,4,5-Tetrafluoro-N-hydroxy-be…

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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) 0.69 1.71 -7.48 3 3 0 59 208.114 1 ↓

Analogs

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Popular Name: 4'-Pentyl-biphenyl-4-carboxamidine 4'-Pentyl-biphenyl-4-carboxamidine

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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) 4.71 -0.6 -31.43 4 2 1 51 273.444 6 ↓

Analogs

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Popular Name: N'-hydroxy-2-methoxybenzenecarboximidamide N'-hydroxy-2-methoxybenzenecarbo…

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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) 0.26 1.03 -8.73 3 4 0 68 166.18 2 ↓
Ref Reference (pH 7) 0.39 0.36 -26.65 4 4 1 67 167.188 3 ↓
Ref Reference (pH 7) 0.26 0.3 -7.68 3 4 0 68 166.18 2 ↓

Analogs

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Popular Name: N-Hydroxy-4-iodo-benzamidine N-Hydroxy-4-iodo-benzamidine

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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) 1.33 2.27 -5.79 3 3 0 59 262.05 1 ↓

Analogs

34961480
34961480

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Popular Name: N-Hydroxy-2,6-dimethyl-benzamidine N-Hydroxy-2,6-dimethyl-benzamidine

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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) 1.05 1.58 -5.87 3 3 0 59 164.208 1 ↓
Lo Low (pH 4.5-6) 1.05 1.74 -31.2 4 3 1 60 165.216 1 ↓
Lo Low (pH 4.5-6) 1.05 1.82 -27.41 4 3 1 60 165.216 1 ↓

Analogs

60142381
60142381

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Popular Name: Biphenyl-4-carboxamidoxime, 97% Biphenyl-4-carboxamidoxime, 97%

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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) 2.05 4.78 -7.22 3 3 0 59 212.252 2 ↓
Lo Low (pH 4.5-6) 2.05 4.62 -32.68 4 3 1 60 213.26 2 ↓
Lo Low (pH 4.5-6) 2.05 4.52 -34.76 4 3 1 60 213.26 2 ↓

Analogs

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Popular Name: N'-hydroxypyrazine-2-carboximidamide N'-hydroxypyrazine-2-carboximida…

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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) -1.09 -2.25 -31.21 4 5 1 84 139.138 2 ↓
Ref Reference (pH 7) -1.22 -2.21 -7.25 3 5 0 84 138.13 1 ↓
Ref Reference (pH 7) -0.34 -0.22 -18.7 3 5 0 84 138.13 1 ↓

Analogs

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Popular Name: N'-hydroxypyridine-2-carboximidamide N'-hydroxypyridine-2-carboximida…

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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) -0.92 -0.33 -6.91 3 4 0 72 137.142 1 ↓
Ref Reference (pH 7) -0.92 -0.54 -6.97 3 4 0 72 137.142 1 ↓
Ref Reference (pH 7) 0.35 1.58 -22.54 3 4 0 71 137.142 1 ↓

Analogs

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Popular Name: N-Hydroxy-2-(1H-indol-3-yl)-acetamidine N-Hydroxy-2-(1H-indol-3-yl)-acet…

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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) 1.28 1.88 -7.54 4 4 0 74 189.218 2 ↓

Analogs

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Popular Name: N'-hydroxy-1H-indole-3-carboximidamide N'-hydroxy-1H-indole-3-carboximi…

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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) 0.40 1.41 -11.26 4 4 0 74 175.191 1 ↓
Lo Low (pH 4.5-6) 0.40 1.11 -32.92 5 4 1 76 176.199 1 ↓
Lo Low (pH 4.5-6) 0.40 1.39 -31.01 5 4 1 76 176.199 1 ↓

Analogs

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Popular Name: N-Hydroxy-3-pyrrol-1-yl-propionamidine N-Hydroxy-3-pyrrol-1-yl-propiona…

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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 -6.23 3 4 0 64 153.185 3 ↓

Analogs

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Popular Name: N'-hydroxy-2-naphthalenecarboximidamide N'-hydroxy-2-naphthalenecarboxim…

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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 3.43 -7.99 3 3 0 59 186.214 1 ↓
Ref Reference (pH 7) 1.44 3.64 -7.28 3 3 0 59 186.214 1 ↓
Lo Low (pH 4.5-6) 1.44 3.47 -31.81 4 3 1 60 187.222 1 ↓

Analogs

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Popular Name: 4-(Trifluoromethyl)benzamidoxime 4-(Trifluoromethyl)benzamidoxime

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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 2.39 -6.04 3 3 0 59 204.151 2 ↓
Ref Reference (pH 7) 1.15 2.17 -6.54 3 3 0 59 204.151 2 ↓

Analogs

39712885
39712885

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Popular Name: 3-Methoxybenzamidoxime 3-Methoxybenzamidoxime

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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) 0.28 0.68 -8.45 3 4 0 68 166.18 2 ↓
Ref Reference (pH 7) 0.28 0.47 -7.04 3 4 0 68 166.18 2 ↓
Ref Reference (pH 7) 0.41 0.51 -30.18 4 4 1 67 167.188 3 ↓

Analogs

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Popular Name: (N-Hydroxycarbamimidoyl)-acetic acid (N-Hydroxycarbamimidoyl)-acetic …

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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 -2.48 -47.47 3 5 -1 98 117.084 2 ↓

Analogs

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Popular Name: N-Hydroxy-3,3-dimethoxy-propionamidine N-Hydroxy-3,3-dimethoxy-propiona…

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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) -0.46 -1.83 -6.66 3 5 0 77 148.162 4 ↓

Analogs

36679234
36679234

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Popular Name: (1Z)-N'-hydroxy-3-methoxypropanimidamide (1Z)-N'-hydroxy-3-methoxypropani…

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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 -1.79 -5.45 3 4 0 68 118.136 3 ↓
Ref Reference (pH 7) -0.29 -2.11 -31.71 4 4 1 67 119.144 4 ↓

Analogs

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Popular Name: N-Hydroxy-2-methoxyacetimidamide N-Hydroxy-2-methoxyacetimidamide

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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) -0.69 -2.54 -7.83 3 4 0 68 104.109 2 ↓
Ref Reference (pH 7) -0.56 -2.45 -29.65 4 4 1 67 105.117 3 ↓

Analogs

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Popular Name: 2-(3,4-Dichloro-phenyl)-N-hydroxy-acetamidine 2-(3,4-Dichloro-phenyl)-N-hydrox…

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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) 2.55 2.8 -41.33 4 3 1 58 220.079 3 ↓

Analogs

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Popular Name: 2-(2,4-Dichloro-phenyl)-N-hydroxy-acetamidine 2-(2,4-Dichloro-phenyl)-N-hydrox…

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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) 2.55 2.86 -34.98 4 3 1 58 220.079 3 ↓
Ref Reference (pH 7) 2.42 2.71 -7.13 3 3 0 59 219.071 2 ↓
Ref Reference (pH 7) 2.42 3 -6.65 3 3 0 59 219.071 2 ↓

Analogs

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Popular Name: (1Z)-N',3-Dihydroxypropanimidamide (1Z)-N',3-Dihydroxypropanimidamide

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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) -1.03 -4.2 -5.99 4 4 0 79 104.109 2 ↓
Ref Reference (pH 7) -0.90 -4.52 -32 5 4 1 78 105.117 3 ↓
Ref Reference (pH 7) -1.03 -4.57 -7.35 4 4 0 79 104.109 2 ↓

Analogs

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Popular Name: (1E)-N',2-dihydroxypropanimidamide (1E)-N',2-dihydroxypropanimidamide

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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) -0.94 -4.3 -6.22 4 4 0 79 104.109 1 ↓
Ref Reference (pH 7) -0.81 -4.33 -29.7 5 4 1 78 105.117 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Chloro-N-hydroxy-2-methyl-propionamidine 3-Chloro-N-hydroxy-2-methyl-prop…

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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) 0.68 -0.04 -6.29 3 3 0 59 136.582 2 ↓

Analogs

26895114
26895114
36678256
36678256
36678257
36678257
36986845
36986845
36986846
36986846

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Popular Name: (1Z)-3-(dimethylamino)-N'-hydroxypropanimidamide (1Z)-3-(dimethylamino)-N'-hydrox…

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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) -0.37 -1.36 -38.67 4 4 1 63 132.187 3 ↓

Analogs

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Popular Name: 2,6-Difluoro-N-hydroxy-benzamidine 2,6-Difluoro-N-hydroxy-benzamidine

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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) 0.48 0.91 -9.2 3 3 0 59 172.134 1 ↓
Ref Reference (pH 7) 0.48 1.04 -9.22 3 3 0 59 172.134 1 ↓

Analogs

4203232
4203232
4203233
4203233
4203234
4203234
4203248
4203248
4203249
4203249

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Popular Name: cis-1-Benzyl-3,4-pyrrolidinedicarboxylic acid cis-1-Benzyl-3,4-pyrrolidinedica…

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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 6.87 -113.52 1 5 -1 85 248.258 4 ↓

Analogs

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Popular Name: N'-hydroxybenzenecarboximidamide N'-hydroxybenzenecarboximidamide

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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) 0.25 1.38 -6.32 3 3 0 59 136.154 1 ↓
Lo Low (pH 4.5-6) 0.25 1.12 -31.48 4 3 1 60 137.162 1 ↓
Lo Low (pH 4.5-6) 0.25 1.21 -29.03 4 3 1 60 137.162 1 ↓

Analogs

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Popular Name: 2-(4-methoxycyclohexyl)acetic acid 2-(4-methoxycyclohexyl)acetic 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) 1.30 4.12 -46.58 0 3 -1 49 171.216 3 ↓

Analogs

37018881
37018881
37018882
37018882
37018883
37018883
37018884
37018884
37018888
37018888

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Popular Name: 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one 3-Amino-2,3,4,5-tetrahydro-1H-be…

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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 1.99 -43.44 4 3 1 57 177.227 0 ↓

Analogs

2516910
2516910

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Popular Name: L-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid L-7-Hydroxy-1,2,3,4-tetrahydrois…

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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) -1.24 -3.06 -39.45 3 4 0 76 193.202 1 ↓

Analogs

2583161
2583161
2387008
2387008

Draw Identity 99% 90% 80% 70%

Popular Name: Fmoc-D-beta-homoalanine Fmoc-D-beta-homoalanine

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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) 4.94 -0.11 -52.58 1 5 -1 78 324.356 6 ↓

Analogs

15446610
15446610
36787427
36787427
36789165
36789165
36790761
36790761
37080047
37080047

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Popular Name: N-Hydroxy-4-(1-pyrrolidine)-butyramidine N-Hydroxy-4-(1-pyrrolidine)-buty…

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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) 0.30 1.99 -37.11 4 4 1 63 172.252 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Pyridinecarboximidic acid, hydrazide HCl 4-Pyridinecarboximidic acid, hyd…

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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 0.16 -32.61 5 4 1 79 137.166 1 ↓
Mid Mid (pH 6-8) -1.34 0.54 -92.36 6 4 2 80 138.174 1 ↓
Mid Mid (pH 6-8) -1.34 0.87 -91.49 6 4 2 80 138.174 1 ↓

Analogs

4202264
4202264

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-1-Boc-piperazine-3-carboxylic acid (R)-1-Boc-piperazine-3-carboxyli…

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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 -1.14 -44 2 6 0 86 230.264 3 ↓

Analogs

4181821
4181821

Draw Identity 99% 90% 80% 70%

Popular Name: D-beta-Homoserine D-beta-Homoserine

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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 -4.88 -41.8 4 4 0 87 119.12 3 ↓

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