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

Analogs

21791759
21791759
21791768
21791768
21791770
21791770
36984337
36984337
36984338
36984338

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Popular Name: 5-ethyl-2-methylpiperidine 5-ethyl-2-methylpiperidine

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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 -0.45 -34.35 2 1 1 16 128.239 1 ↓

Analogs

21791759
21791759
21791768
21791768
21791770
21791770
36984337
36984337
36984338
36984338

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Popular Name: 5-ethyl-2-methylpiperidine 5-ethyl-2-methylpiperidine

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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 -0.32 -33.57 2 1 1 16 128.239 1 ↓

Analogs

21791759
21791759
21791768
21791768
21791770
21791770
36984337
36984337
36984338
36984338

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Popular Name: 5-ethyl-2-methylpiperidine 5-ethyl-2-methylpiperidine

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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 -0.32 -33.55 2 1 1 16 128.239 1 ↓

Analogs

21791759
21791759
21791768
21791768
21791770
21791770
36984337
36984337
36984338
36984338

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Popular Name: 5-ethyl-2-methylpiperidine 5-ethyl-2-methylpiperidine

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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 -0.45 -34.35 2 1 1 16 128.239 1 ↓

Analogs

44511690
44511690
45663434
45663434

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Popular Name: 1-(Piperidin-1-ylmethyl)naphthalen-2-ol 1-(Piperidin-1-ylmethyl)naphthal…

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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) 3.75 -0.43 -34.42 2 2 1 24 242.342 2 ↓

Analogs

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Popular Name: 3-(4-[(4-bromophenyl)thio]-3-nitrophenyl)acrylic acid 3-(4-[(4-bromophenyl)thio]-3-nit…

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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) 4.57 0.64 -47.76 0 5 -1 85 379.211 5 ↓

Analogs

34646592
34646592
34646593
34646593

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Popular Name: 2-(Morpholin-2-ylmethyl)isoindoline-1,3-dione 2-(Morpholin-2-ylmethyl)isoindol…

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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) 0.79 3.47 -45.71 2 5 1 65 247.274 2 ↓

Analogs

34646592
34646592
34646593
34646593

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Popular Name: 2-(Morpholin-2-ylmethyl)isoindoline-1,3-dione 2-(Morpholin-2-ylmethyl)isoindol…

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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) 0.79 3.41 -45.66 2 5 1 65 247.274 2 ↓

Analogs

19855127
19855127
19855129
19855129

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Popular Name: 2-Chloromethyl-4-benzylmorpholine 2-Chloromethyl-4-benzylmorpholine

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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 0.26 -40.47 1 2 1 14 226.727 3 ↓

Analogs

44250011
44250011

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Popular Name: 3-chloro-4-methylbenzylamine 3-chloro-4-methylbenzylamine

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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 -1.67 -45.9 3 1 1 27 156.636 1 ↓

Analogs

34599905
34599905
39386322
39386322

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Popular Name: 4-chloro-2-methylbenzoic acid 4-chloro-2-methylbenzoic 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) 2.56 0.82 -44.73 0 2 -1 40 169.587 1 ↓

Analogs

44225133
44225133

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Popular Name: 2,3-dimethylbenzoic acid 2,3-dimethylbenzoic 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) 2.31 1.27 -51.76 0 2 -1 40 149.169 1 ↓

Analogs

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Popular Name: 2-fluoro-4-nitrobenzoic acid 2-fluoro-4-nitrobenzoic 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) 1.56 4.82 -41.09 0 5 -1 86 184.102 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-butylbenzoic acid 4-butylbenzoic 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) 3.71 1.5 -50.72 0 2 -1 40 177.223 4 ↓

Analogs

38416841
38416841

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Popular Name: 3-chloro-4-methylbenzoic acid 3-chloro-4-methylbenzoic 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) 2.90 0.95 -47.91 0 2 -1 40 169.587 1 ↓

Analogs

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Popular Name: 2-(Trifluoromethyl)thiophenol 2-(Trifluoromethyl)thiophenol

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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) 3.01 1.6 -43.42 0 0 -1 0 177.17 1 ↓

Analogs

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Popular Name: 4-amino-3-(trifluoromethoxy)benzoic acid 4-amino-3-(trifluoromethoxy)benz…

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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) 2.23 0.38 -50.58 2 4 -1 75 220.126 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Bromo-2-(trifluoromethoxy)thiophenol 4-Bromo-2-(trifluoromethoxy)thio…

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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) 3.87 0.24 -37.94 0 1 -1 9 272.065 2 ↓

Analogs

34334624
34334624

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Popular Name: 2-amino-4-methylbenzoic acid 2-amino-4-methylbenzoic 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) 1.89 2.87 -49.85 2 3 -1 66 150.157 1 ↓

Analogs

38236316
38236316

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Popular Name: 2-(trifluoromethoxy)benzoic acid 2-(trifluoromethoxy)benzoic 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) 2.85 2.78 -51.54 0 3 -1 49 205.111 3 ↓

Analogs

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Popular Name: N-methyl-N-(3-pyridylmethyl)amine N-methyl-N-(3-pyridylmethyl)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) 0.26 2.63 -41.28 2 2 1 29 123.179 2 ↓
Lo Low (pH 4.5-6) 0.26 2.91 -97.13 3 2 2 31 124.187 2 ↓

Analogs

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Popular Name: 3-Chloro-4-fluorothiophenol 3-Chloro-4-fluorothiophenol

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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) 2.94 -0.04 -35.8 0 0 -1 0 161.608 0 ↓

Analogs

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Popular Name: 2,4-dichloro-6-methylbenzylamine 2,4-dichloro-6-methylbenzylamine

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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) 2.78 -1.87 -43.87 3 1 1 27 191.081 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Methoxybenzenethiol 4-Methoxybenzenethiol

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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) 2.22 -0.61 -43.58 0 1 -1 9 139.199 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dichlorobenzylamine 2,5-dichlorobenzylamine

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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) 2.41 -2.09 -41.72 3 1 1 27 177.054 1 ↓

Analogs

37094172
37094172
37094217
37094217

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Popular Name: 2,5-dimethoxybenzylamine 2,5-dimethoxybenzylamine

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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) 1.16 1.2 -40.09 3 3 1 46 168.216 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-fluorobenzylamine 3-chloro-4-fluorobenzylamine

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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 3.09 -51.65 3 1 1 28 160.599 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichlorobenzylamine 3,5-dichlorobenzylamine

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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) 2.41 -2.14 -48.65 3 1 1 27 177.054 1 ↓
Hi High (pH 8-9.5) 0.90 2.27 -102.81 7 10 1 161 500.58 6 ↓

Analogs

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Popular Name: 2,3-dimethylbenzylamine 2,3-dimethylbenzylamine

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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 3.71 -42.99 3 1 1 28 136.218 1 ↓

Analogs

8030912
8030912
8374469
8374469
39280325
39280325

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Popular Name: 4-(4-methylpiperazino)aniline 4-(4-methylpiperazino)aniline

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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) 1.01 4.59 -36.42 3 3 1 34 192.286 1 ↓

Analogs

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Popular Name: (2-BROMO-3-THIENYL)METHYLAMINE (2-BROMO-3-THIENYL)METHYLAMINE

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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) 1.64 2.16 -39.86 3 1 1 28 193.089 1 ↓

Analogs

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Popular Name: ethyl 1-(3-aminobenzyl)piperidine-4-carboxylate ethyl 1-(3-aminobenzyl)piperidin…

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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) 1.80 0.43 -41.3 3 4 1 56 263.361 5 ↓

Analogs

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Popular Name: 3-methylbenzenecarboximidamide hydrochloride 3-methylbenzenecarboximidamide h…

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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) 0.75 3.06 -30.71 4 2 1 52 135.19 1 ↓

Analogs

44239226
44239226

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Popular Name: trans-4-(Boc-Amino)cyclohexanecarboxylic acid trans-4-(Boc-Amino)cyclohexaneca…

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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) 3.48 4.23 -51.73 1 5 -1 78 242.295 4 ↓

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Popular Name: 5-methyl-1H-pyrazole-3-carboxylic acid 5-methyl-1H-pyrazole-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) 0.35 1.16 -43.14 1 4 -1 69 125.107 1 ↓

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Popular Name: 2-chloroisonicotinic acid 2-chloroisonicotinic 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) 1.58 3.72 -40.57 0 3 -1 53 156.548 1 ↓

Analogs

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Popular Name: 3-Oxo-2-(thiophene-2-carbonyl)-butyric acid ethylester 3-Oxo-2-(thiophene-2-carbonyl)-b…

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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) 0.81 6.08 -46.25 0 4 -1 66 239.272 5 ↓
Mid Mid (pH 6-8) 2.54 0.92 -8.15 1 4 0 63 240.28 5 ↓
Mid Mid (pH 6-8) 1.51 1.07 -12.64 0 4 0 60 240.28 6 ↓

Analogs

39134494
39134494

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Popular Name: 2-methyl-1,3-thiazole-4-carboximidamide hydrochloride 2-methyl-1,3-thiazole-4-carboxim…

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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) -0.79 0.17 -30.14 4 3 1 65 142.207 1 ↓

Analogs

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Popular Name: (5-CHLORO-1-BENZOTHIOPHEN-3-YL)METHYLAMINE (5-CHLORO-1-BENZOTHIOPHEN-3-YL)M…

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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) 2.67 -2.71 -46.83 3 1 1 27 198.698 1 ↓

Analogs

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Popular Name: (1,5-dimethyl-1H-pyrrol-2-yl)methylamine (1,5-dimethyl-1H-pyrrol-2-yl)met…

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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) 0.56 2.43 -44.24 3 2 1 33 125.195 1 ↓

Analogs

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Popular Name: 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid 2-(2,3-dihydro-1-benzofuran-5-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 -1.29 -49.12 0 4 -1 62 260.294 2 ↓

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Popular Name: 3-aminoisonicotinic acid 3-aminoisonicotinic 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) 0.37 1.38 -41.94 2 4 -1 79 137.118 1 ↓
Mid Mid (pH 6-8) 0.37 1.86 -45.91 3 4 0 80 138.126 1 ↓

Analogs

34525420
34525420

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Popular Name: 2-(4-Benzylpiperazin-1-yl)benzaldehydedihydrochloride 2-(4-Benzylpiperazin-1-yl)benzal…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 1.56 -35.8 1 3 1 24 281.379 4 ↓

Analogs

34566573
34566573
34566575
34566575

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Popular Name: 1-amino-1-phenylacetone hydrochloride 1-amino-1-phenylacetone hydrochl…

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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 -1.11 -42.11 3 2 1 44 150.201 2 ↓

Analogs

34566573
34566573
34566575
34566575

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Popular Name: 1-amino-1-phenylacetone hydrochloride 1-amino-1-phenylacetone hydrochl…

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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 -1.11 -41.64 3 2 1 44 150.201 2 ↓

Analogs

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Popular Name: 1,2,3-thiadiazole-4-carboxylic acid 1,2,3-thiadiazole-4-carboxylic 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) 0.34 0.46 -48.07 0 4 -1 66 129.12 1 ↓

Analogs

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Popular Name: 3-formyl-1H-indole-7-carboxylic acid 3-formyl-1H-indole-7-carboxylic …

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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 4.01 -50.89 1 4 -1 73 188.162 2 ↓

Analogs

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Popular Name: gamma-Aminobutyric acid gamma-Aminobutyric 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) -1.10 0.98 -62.79 3 3 0 68 103.121 3 ↓

Analogs

37005495
37005495

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Popular Name: N1-[3-(3-aminopropoxy)phenyl]acetamide N1-[3-(3-aminopropoxy)phenyl]ace…

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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 1.79 -52.2 4 4 1 66 209.269 5 ↓

Analogs

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Popular Name: 4-Methylnicotinic acid 4-Methylnicotinic 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) 0.65 3.85 -45.53 0 3 -1 53 136.13 1 ↓
Lo Low (pH 4.5-6) 0.65 4.3 -45.37 1 3 0 54 137.138 1 ↓

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