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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-carboxyethyl)-N-[2-(2,5-dihydro-2,5-dioxo-1H- N-(2-carboxyethyl)-N-[2-(2,5-dih…

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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 6.38 -76.29 1 8 -1 124 283.26 9 ↓
Hi High (pH 8-9.5) -1.15 4.29 -109.96 0 8 -2 123 282.252 9 ↓

Analogs

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Popular Name: HCl-Gly-Psi[CS-N]-Pyrrolidide HCl-Gly-Psi[CS-N]-Pyrrolidide

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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 2.08 -43.55 3 2 1 31 145.251 2 ↓
Hi High (pH 8-9.5) -0.94 1.73 -8.57 2 2 0 29 144.243 2 ↓

Analogs

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Popular Name: HCl-Ile-Psi[CS-N]-Pyrrolidide HCl-Ile-Psi[CS-N]-Pyrrolidide

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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) 0.74 4.73 -40.63 3 2 1 31 201.359 4 ↓
Hi High (pH 8-9.5) 0.74 4.43 -7.49 2 2 0 29 200.351 4 ↓

Analogs

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Popular Name: HCl-Ile-Psi[CS-N]-Thiazolidide HCl-Ile-Psi[CS-N]-Thiazolidide

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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) 0.71 4.2 -43.23 3 2 1 31 219.399 4 ↓
Mid Mid (pH 6-8) 0.71 3.9 -5.71 2 2 0 29 218.391 4 ↓

Analogs

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Popular Name: 4,6-difluoro-5-pyrimidine formaldehyde 4,6-difluoro-5-pyrimidine formal…

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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 2.18 -6.93 0 3 0 43 144.08 1 ↓

Analogs

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Popular Name: N-Boc-g,g'-dicyclohexyl-D,L-carboxyglutamic acid N-Boc-g,g'-dicyclohexyl-D,L-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) 4.88 12.46 -58.19 1 9 -1 131 454.54 12 ↓

Analogs

2539203
2539203

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Popular Name: N-Boc-g,g'-dicyclohexyl-D,L-carboxyglutamic acid N-Boc-g,g'-dicyclohexyl-D,L-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) 4.88 12.57 -58.75 1 9 -1 131 454.54 12 ↓

Analogs

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Popular Name: Boc-ThionoSer(tBu)-1-(6-nitro)benzotriazolide Boc-ThionoSer(tBu)-1-(6-nitro)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) 5.49 7.16 -8.42 1 10 0 124 423.495 9 ↓

Analogs

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Popular Name: Z-L-Val-chloromethylketone Z-L-Val-chloromethylketone

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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) 4.22 6.93 -8.83 1 4 0 55 283.755 7 ↓

Analogs

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Popular Name: a-Bromo-N-Boc-Gly-OtBu a-Bromo-N-Boc-Gly-OtBu

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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) 2.89 4.87 -4.76 1 5 0 65 310.188 6 ↓

Analogs

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Popular Name: a-Bromo-N-Boc-Gly-OtBu a-Bromo-N-Boc-Gly-OtBu

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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) 2.89 4.55 -5.5 1 5 0 65 310.188 6 ↓

Analogs

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Popular Name: Boc-ThionoGly-1-(6-nitro)benzotriazolide Boc-ThionoGly-1-(6-nitro)benzotr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.51 2.66 -48.91 3 7 1 104 238.252 3 ↓
Mid Mid (pH 6-8) 0.51 2.3 -7.3 2 7 0 103 237.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Boc-Thiono-t-Leu-1-(6-nitro)benzotriazolide Boc-Thiono-t-Leu-1-(6-nitro)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) 6.02 7.77 -7.43 1 9 0 115 393.469 7 ↓

Analogs

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Popular Name: Boc-ThionoTyr(tBu)-1-(6-nitro)benzotriazolide Boc-ThionoTyr(tBu)-1-(6-nitro)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) 7.36 10.53 -10.67 1 10 0 124 499.593 10 ↓

Analogs

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Popular Name: 4-(2-N-Maleimido)methyl benzohydrazide-HCl 4-(2-N-Maleimido)methyl benzohyd…

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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) -0.24 2.33 -14.55 3 6 0 94 245.238 3 ↓

Analogs

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Popular Name: Tert-butyl 2-(4-(methoxycarbonyl)-2-methylphenyl)pyrrolidine-1-carboxylate Tert-butyl 2-(4-(methoxycarbonyl…

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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) 3.91 10.03 -10.41 0 5 0 56 319.401 5 ↓

Analogs

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Popular Name: Tert-butyl 2-(4-(methoxycarbonyl)-2-methylphenyl)pyrrolidine-1-carboxylate Tert-butyl 2-(4-(methoxycarbonyl…

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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) 3.91 10.01 -10.36 0 5 0 56 319.401 5 ↓

Analogs

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Popular Name: 3-Iodo-5-methylaniline 3-Iodo-5-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) 2.47 4.12 -2.59 2 1 0 26 233.052 0 ↓

Analogs

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Popular Name: (R)-Boc-g-Iodo-Abu-OMe (R)-Boc-g-Iodo-Abu-OMe

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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) 4.16 4.75 -4.63 1 5 0 65 343.161 6 ↓

Analogs

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Popular Name: (R)-Boc-g-Iodo-Abu-OMe (R)-Boc-g-Iodo-Abu-OMe

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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) 4.16 4.57 -4.11 1 5 0 65 343.161 6 ↓

Analogs

2169463
2169463

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Popular Name: N-Boc-dehydroAla-OBn N-Boc-dehydroAla-OBn

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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) 3.34 7.26 -12.51 1 5 0 65 277.32 7 ↓

Analogs

2525356
2525356
394416
394416

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Popular Name: Ethyl 4-(4-aminobutyl)piperazine-1-carboxylate Ethyl 4-(4-aminobutyl)piperazine…

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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) 0.03 3.82 -106.92 4 5 2 62 231.34 6 ↓
Mid Mid (pH 6-8) 0.03 1.62 -47.56 3 5 1 60 230.332 6 ↓

Analogs

34975908
34975908

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Popular Name: 3-(2-bromophenyl)-1H-pyrazol-5-amine hydrochloride 3-(2-bromophenyl)-1H-pyrazol-5-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) 2.36 4.01 -6.57 3 3 0 55 238.088 1 ↓
Ref Reference (pH 7) 2.36 4.17 -8.02 3 3 0 55 238.088 1 ↓
Lo Low (pH 4.5-6) 2.36 4.16 -26.37 4 3 1 56 239.096 1 ↓

Analogs

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Popular Name: (1S,2S,5R)-1-allyl-2-isopropyl-5-methylcyclohexanol (1S,2S,5R)-1-allyl-2-isopropyl-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) 4.32 6.23 -0.84 1 1 0 20 196.334 3 ↓

Analogs

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Popular Name: 1,2,5,6-Tetrahydro-6-(4-methoxyphenyl)-4-methyl-2-oxo-5-pyrimidinecarboxylic acid 1,2,5,6-Tetrahydro-6-(4-methoxyp…

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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) 1.62 3.48 -50.25 2 6 -1 90 261.257 3 ↓

Analogs

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Popular Name: 1,2,5,6-Tetrahydro-6-(4-methoxyphenyl)-4-methyl-2-oxo-5-pyrimidinecarboxylic acid 1,2,5,6-Tetrahydro-6-(4-methoxyp…

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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) 1.62 3.13 -46.31 2 6 -1 90 261.257 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,5,6-Tetrahydro-6-(4-methoxyphenyl)-4-methyl-2-oxo-5-pyrimidinecarboxylic acid 1,2,5,6-Tetrahydro-6-(4-methoxyp…

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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) 1.62 3.02 -46.27 2 6 -1 90 261.257 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,5,6-Tetrahydro-6-(4-methoxyphenyl)-4-methyl-2-oxo-5-pyrimidinecarboxylic acid 1,2,5,6-Tetrahydro-6-(4-methoxyp…

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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) 1.62 3.36 -48.03 2 6 -1 90 261.257 3 ↓

Analogs

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Popular Name: 6-[4-(Dimethylamino)phenyl]-1,2,5,6-tetrahydro-4-methyl-2-oxo-5-pyrimidinecarboxylic acid 6-[4-(Dimethylamino)phenyl]-1,2,…

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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) 1.66 4.47 -50.65 2 6 -1 84 274.3 3 ↓
Lo Low (pH 4.5-6) 1.66 5.34 -59.33 3 6 0 86 275.308 3 ↓

Analogs

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Popular Name: 6-[4-(Dimethylamino)phenyl]-1,2,5,6-tetrahydro-4-methyl-2-oxo-5-pyrimidinecarboxylic acid 6-[4-(Dimethylamino)phenyl]-1,2,…

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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) 1.66 4.22 -47.21 2 6 -1 84 274.3 3 ↓
Lo Low (pH 4.5-6) 1.66 5.01 -67.25 3 6 0 86 275.308 3 ↓

Analogs

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Popular Name: 6-[4-(Dimethylamino)phenyl]-1,2,5,6-tetrahydro-4-methyl-2-oxo-5-pyrimidinecarboxylic acid 6-[4-(Dimethylamino)phenyl]-1,2,…

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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) 1.66 4.1 -47.16 2 6 -1 84 274.3 3 ↓
Lo Low (pH 4.5-6) 1.66 4.89 -67.37 3 6 0 86 275.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[4-(Dimethylamino)phenyl]-1,2,5,6-tetrahydro-4-methyl-2-oxo-5-pyrimidinecarboxylic acid 6-[4-(Dimethylamino)phenyl]-1,2,…

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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) 1.66 4.45 -48.37 2 6 -1 84 274.3 3 ↓
Lo Low (pH 4.5-6) 1.66 5.25 -56.04 3 6 0 86 275.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Methylthiobenzoic acid 2-Methylthiobenzoic 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) 2.10 4.64 -45.83 0 1 -1 23 151.21 1 ↓

Analogs

34679621
34679621
34679622
34679622
32220464
32220464
3160253
3160253
3160254
3160254

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Popular Name: (S)-3-(4-Fluorophenyl)-4-benzyl-2-morpholinone (S)-3-(4-Fluorophenyl)-4-benzyl-…

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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) 3.21 10.43 -47.61 1 3 1 31 286.326 3 ↓
Mid Mid (pH 6-8) 3.21 8.56 -8.16 0 3 0 30 285.318 3 ↓

Analogs

57571266
57571266

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Popular Name: 2-(1-benzhydryl-azetidin-3-yl)malonic acid diethyl ester 2-(1-benzhydryl-azetidin-3-yl)ma…

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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) 4.60 14.83 -44.87 1 5 1 57 382.48 10 ↓
Hi High (pH 8-9.5) 4.60 12.13 -8.14 0 5 0 56 381.472 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Boc-Val-chloromethylketone Boc-Val-chloromethylketone

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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) 3.82 4.86 -7.6 1 4 0 55 249.738 6 ↓

Analogs

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Popular Name: 4-(trifluoromethoxy)phenylethylamine 4-(trifluoromethoxy)phenylethyla…

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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) 3.63 9.7 -8.52 2 3 0 36 358.161 2 ↓

Analogs

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Popular Name: ethyl 7-hydroxy-4-nitro-1H-indole-2-carboxylate ethyl 7-hydroxy-4-nitro-1H-indol…

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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) 2.25 4.4 -33.85 1 7 -1 111 249.202 4 ↓
Lo Low (pH 4.5-6) 2.25 3.66 -17.31 2 7 0 108 250.21 4 ↓

Analogs

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Popular Name: (2S,3R)-3-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)pentan-3-ol (2S,3R)-3-(2,4-difluorophenyl)-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) 3.22 6.7 -5.36 1 3 0 46 296.292 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-O-Methyl-2-Deoxy-D-Ribose 1-O-Methyl-2-Deoxy-D-Ribose

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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) -1.35 -6.02 -6.89 3 4 0 70 150.174 5 ↓

Analogs

39050833
39050833

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Popular Name: 6-Fluoro-5-methylpyridin-3-ol 6-Fluoro-5-methylpyridin-3-ol

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 0.83 -31.24 2 2 1 34 128.126 0 ↓
Hi High (pH 8-9.5) 1.53 1.61 -19.62 1 2 0 37 127.118 0 ↓
Hi High (pH 8-9.5) 1.53 1.14 -36.77 0 2 -1 36 126.11 0 ↓

Analogs

39316979
39316979

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Popular Name: 2-Chloro-5-methylpyridin-3-ol 2-Chloro-5-methylpyridin-3-ol

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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) 1.88 2.12 -24.52 1 2 0 37 143.573 0 ↓
Mid Mid (pH 6-8) 1.88 1.02 -5.22 1 2 0 33 143.573 0 ↓
Mid Mid (pH 6-8) 1.88 1.68 -39.42 0 2 -1 36 142.565 0 ↓

Analogs

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Popular Name: 5-Methoxy-2-piperidin-2-yl-1H-benzoimidazole hydrochloride 5-Methoxy-2-piperidin-2-yl-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) 2.22 4.2 -38.77 3 4 1 55 232.307 2 ↓
Hi High (pH 8-9.5) 2.22 2.76 -6.69 2 4 0 50 231.299 2 ↓
Lo Low (pH 4.5-6) 2.22 4.19 -39.82 3 4 1 55 232.307 2 ↓

Analogs

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Popular Name: 5-Methoxy-2-piperidin-2-yl-1H-benzoimidazole hydrochloride 5-Methoxy-2-piperidin-2-yl-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) 2.22 4.2 -38.75 3 4 1 55 232.307 2 ↓
Hi High (pH 8-9.5) 2.22 3.13 -6.87 2 4 0 50 231.299 2 ↓
Lo Low (pH 4.5-6) 2.22 4.19 -39.79 3 4 1 55 232.307 2 ↓

Analogs

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Popular Name: 9-Bromo-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline 9-Bromo-1,1,7,7-tetramethyl-2,3,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.27 9.61 -3.16 0 1 0 3 308.263 0 ↓
Mid Mid (pH 6-8) 5.27 10.52 -32.45 1 1 1 4 309.271 0 ↓

Analogs

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Popular Name: 5-Bromo-6-chloropyridin-3-ol 5-Bromo-6-chloropyridin-3-ol

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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 1.98 -17.78 1 2 0 37 208.442 0 ↓
Mid Mid (pH 6-8) 2.40 0.76 -7.54 1 2 0 33 208.442 0 ↓
Mid Mid (pH 6-8) 2.40 1.55 -32.09 0 2 -1 36 207.434 0 ↓

Analogs

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Popular Name: 2-Bromo-3-chloro-5-hydroxypyridine 2-Bromo-3-chloro-5-hydroxypyridine

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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 1.97 -17.33 1 2 0 37 208.442 0 ↓
Mid Mid (pH 6-8) 2.40 0.72 -7.53 1 2 0 33 208.442 0 ↓
Mid Mid (pH 6-8) 2.40 1.51 -32.02 0 2 -1 36 207.434 0 ↓

Analogs

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Popular Name: 2,5-Dihydroxy-3-nitropyridine 2,5-Dihydroxy-3-nitropyridine

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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) 0.20 -0.75 -28.27 2 6 0 99 156.097 1 ↓
Mid Mid (pH 6-8) 0.20 0.03 -40.38 1 6 -1 102 155.089 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-Dichloro-5-hydroxypyridine 2,3-Dichloro-5-hydroxypyridine

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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 1.88 -17.87 1 2 0 37 163.991 0 ↓
Mid Mid (pH 6-8) 2.27 0.65 -7.55 1 2 0 33 163.991 0 ↓
Mid Mid (pH 6-8) 2.27 1.45 -31.81 0 2 -1 36 162.983 0 ↓

Analogs

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Popular Name: 4-(4-methyl-1H-imidazol-1-yl)benzenamine 4-(4-methyl-1H-imidazol-1-yl)ben…

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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) 0.57 5.75 -29.89 3 3 1 45 174.227 1 ↓
Mid Mid (pH 6-8) 0.57 5.32 -8.82 2 3 0 44 173.219 1 ↓

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