UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-Chloro-4-(difluoromethoxy)aniline hydrochloride 3-Chloro-4-(difluoromethoxy)anil…

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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 0.05 -5.75 2 2 0 35 193.58 2 ↓

Analogs

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Popular Name: Diimidazo[1,5-a:1',5'-d]pyrazine-5,10-dione dihydrochloride Diimidazo[1,5-a:1',5'-d]pyrazine…

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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) -0.96 4.62 -7.37 0 6 0 69 188.146 0 ↓
Mid Mid (pH 6-8) -0.96 5.11 -44.5 1 6 1 70 189.154 0 ↓
Mid Mid (pH 6-8) -0.96 5.6 -98.27 2 6 2 71 190.162 0 ↓

Analogs

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Popular Name: 1-Bromo-2,5-difluoro-3-methylbenzene 1-Bromo-2,5-difluoro-3-methylben…

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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) 3.38 5.87 -2.4 0 0 0 0 207.017 0 ↓

Analogs

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Popular Name: 6,8-Dibromo-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine 6,8-Dibromo-2-methyl-[1,2,4]tria…

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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 3.94 -5.4 0 4 0 43 291.934 0 ↓

Analogs

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Popular Name: Sodium 4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-5-yl hydrogendiphosphate Sodium 4-amino-1-((2R,3R,4S,5R)-…

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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

Analogs

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Popular Name: 3-Chloro-2-fluoro-5-hydroxypyridine 3-Chloro-2-fluoro-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
Hi High (pH 8-9.5) 2.85 5.47 -11.01 2 6 0 91 377.444 7 ↓

Analogs

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Popular Name: 3-(Trifluoromethyl)-4,5,6,7-tetrahydro-3H-pyrazolo[3,4-c]pyridine hydrochloride 3-(Trifluoromethyl)-4,5,6,7-tetr…

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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

Analogs

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Popular Name: (S)-4,4'-(Propane-1,2-diyl)bis(piperazine-2,6-dione) (S)-4,4'-(Propane-1,2-diyl)bis(p…

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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

Analogs

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Popular Name: 3-Aminoquinuclidine dihydrochloride 3-Aminoquinuclidine dihydrochloride

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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

Analogs

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Popular Name: Potassium 5-bromo-6-chloro-1H-indol-3-yl sulfate Potassium 5-bromo-6-chloro-1H-in…

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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) 0.59 -7.97 -45.83 1 5 -1 82 325.547 2 ↓

Analogs

32225335
32225335

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Popular Name: 4-Hydroxyquinolin-2(1H)-one 4-Hydroxyquinolin-2(1H)-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) 0.78 1.63 -47.02 1 3 -1 56 160.152 0 ↓
Ref Reference (pH 7) 0.72 2.83 -8.53 1 3 0 46 161.16 0 ↓

Analogs

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Popular Name: L-Propargylglycine L-Propargylglycine

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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) -2.60 -1 -38.24 3 3 0 67 113.116 2 ↓

Analogs

37095981
37095981

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Popular Name: 1-(2-Methoxyphenethyl)piperazine 1-(2-Methoxyphenethyl)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) 1.45 3.68 -40.25 2 3 1 29 221.324 4 ↓

Analogs

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Popular Name: (S)-4-(2-Amino-3-hydroxypropyl)phenol (S)-4-(2-Amino-3-hydroxypropyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.13 -2.14 -41.84 5 3 1 68 168.216 3 ↓

Analogs

39234905
39234905
2512908
2512908

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Popular Name: 2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid hydrochloride 2-Amino-3-(1,2-dihydro-2-oxoquin…

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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 2.21 -44.55 4 5 0 101 232.239 3 ↓

Analogs

12647599
12647599
39234905
39234905

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Popular Name: 2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid hydrochloride 2-Amino-3-(1,2-dihydro-2-oxoquin…

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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 2.01 -40.28 4 5 0 101 232.239 3 ↓

Analogs

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Popular Name: Nefazodone Hydrochloride Nefazodone Hydrochloride

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.06 14.82 -48.69 1 7 1 57 471.025 10 ↓
Mid Mid (pH 6-8) 4.06 12.61 -18.23 0 7 0 56 470.017 10 ↓

Analogs

42176880
42176880
44517748
44517748
45663953
45663953

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Popular Name: Methyl 2-(piperidin-1-ylmethyl)benzoate Methyl 2-(piperidin-1-ylmethyl)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) 2.43 2.84 -26.82 1 3 1 30 234.319 4 ↓

Analogs

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Popular Name: 3-Amino-5-chloro-2-hydroxypyridine 3-Amino-5-chloro-2-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) 0.62 -1.13 -12.15 3 3 0 59 144.561 0 ↓

Analogs

2577186
2577186

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Popular Name: 1-(4-methylphenyl)ethanamine 1-(4-methylphenyl)ethanamine

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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 3.91 -42.01 3 1 1 28 136.218 1 ↓

Analogs

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Popular Name: Methyl 2-((4-hydroxyphenyl)amino)acetate hydrochloride Methyl 2-((4-hydroxyphenyl)amino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 1.35 -7.1 2 4 0 59 181.191 4 ↓

Analogs

25492647
25492647

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Popular Name: 6-Hydroxy-2,4,5-triaminopyrimidine 6-Hydroxy-2,4,5-triaminopyrimidine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.50 -2.37 -11.3 7 6 0 124 141.134 0 ↓
Ref Reference (pH 7) -1.50 -3.04 -20.86 7 6 0 124 141.134 0 ↓
Hi High (pH 8-9.5) -0.20 1.26 -97.29 9 11 2 174 437.508 5 ↓

Analogs

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Popular Name: 5-(Trifluoromethyl)indole 5-(Trifluoromethyl)indole

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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) 3.03 5.53 -5.42 1 1 0 16 185.148 1 ↓

Analogs

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Popular Name: 4-Fluorobenzamidoxime 4-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) 0.42 1.44 -5.95 3 3 0 59 154.144 1 ↓

Analogs

6096965
6096965

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Popular Name: 3-(2-Furyl)acrolein 3-(2-Furyl)acrolein

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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 3.73 -10.25 0 2 0 30 122.123 2 ↓

Analogs

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Popular Name: 1-(3-Chlorophenyl)piperazin-2-one 1-(3-Chlorophenyl)piperazin-2-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

Analogs

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Popular Name: 3-Methoxy-2,4,5-trifluorobenzoic acid 3-Methoxy-2,4,5-trifluorobenzoic…

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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 3.69 -41.21 0 3 -1 49 205.111 2 ↓

Analogs

3679843
3679843
3679844
3679844
3679845
3679845
3679846
3679846
33736653
33736653

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Popular Name: 2-Amino-3-(2-chlorophenyl)propanoic acid 2-Amino-3-(2-chlorophenyl)propan…

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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) -0.60 3.45 -40.89 3 3 0 68 199.637 3 ↓

Analogs

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Popular Name: N-Methylcyclooctanamine hydrochloride N-Methylcyclooctanamine 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) 3.01 -0.23 -35.64 2 1 1 16 142.266 1 ↓

Analogs

34344015
34344015

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Popular Name: Phenyl(piperidin-4-yl)methanone Phenyl(piperidin-4-yl)methanone

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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 5.83 -46.01 2 2 1 34 190.266 2 ↓

Analogs

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Popular Name: 2-(2,5-Dibromophenyl)acetic acid 2-(2,5-Dibromophenyl)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) 2.91 -0.45 -44.18 0 2 -1 40 292.934 2 ↓

Analogs

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Popular Name: pyridine-4-carboximidamide hydrochloride pyridine-4-carboximidamide 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) -0.97 0.63 -36.35 4 3 1 65 122.151 1 ↓
Lo Low (pH 4.5-6) -0.97 0.91 -93.81 5 3 2 66 123.159 1 ↓

Analogs

172169
172169
6490656
6490656
34834123
34834123

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Popular Name: Bis(4-methoxybenzyl)amine Bis(4-methoxybenzyl)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) 3.01 0.23 -48.34 2 3 1 35 258.341 6 ↓

Analogs

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Popular Name: 2-Fluoro-6-iodobenzaldehyde 2-Fluoro-6-iodobenzaldehyde

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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) 2.88 5.26 -7 0 1 0 17 250.01 1 ↓

Analogs

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Popular Name: 1,7-naphthyridin-8-ol 1,7-naphthyridin-8-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) 0.30 1.93 -15.89 1 3 0 46 146.149 0 ↓

Analogs

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Popular Name: 2-Bromo-1,3-difluoro-5-iodobenzene 2-Bromo-1,3-difluoro-5-iodobenzene

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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) 4.01 6.3 -1.51 0 0 0 0 318.886 0 ↓

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Popular Name: 4-Benzofurazancarboxaldehyde 4-Benzofurazancarboxaldehyde

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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 3.07 -17.52 0 4 0 56 148.121 1 ↓

Analogs

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Popular Name: 5-Fluoro-2-iodobenzaldehyde 5-Fluoro-2-iodobenzaldehyde

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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 5.36 -5.43 0 1 0 17 250.01 1 ↓

Analogs

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Popular Name: 1-(2-Bromoethyl)-4-chlorobenzene 1-(2-Bromoethyl)-4-chlorobenzene

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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) 3.53 7.18 -2.44 0 0 0 0 219.509 2 ↓

Analogs

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Popular Name: 4-Bromo-1-fluoro-2-iodobenzene 4-Bromo-1-fluoro-2-iodobenzene

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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) 3.92 6.24 -2.02 0 0 0 0 300.896 0 ↓

Analogs

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Popular Name: 5-Amino-1-(tert-butyl)-1H-pyrrole-3-carbonitrile 5-Amino-1-(tert-butyl)-1H-pyrrol…

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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 5.24 -7.11 2 3 0 55 163.224 1 ↓

Analogs

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Popular Name: 4-phenyl-1,3-thiazol-2-amine 4-phenyl-1,3-thiazol-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

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Popular Name: Razoxane Razoxane

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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

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Popular Name: 2,4-Dimethoxy-5H-pyrrolo[3,2-d]pyrimidine 2,4-Dimethoxy-5H-pyrrolo[3,2-d]p…

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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) 1.11 -2.12 -11.57 1 5 0 60 179.179 2 ↓

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Popular Name: 3,6-Dichloropyridazine-4-carbonitrile 3,6-Dichloropyridazine-4-carboni…

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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) 1.91 2.83 -4.69 0 3 0 50 173.99 0 ↓

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Popular Name: Ethyl 3-ethoxy-3-iminopropanoate hydrochloride Ethyl 3-ethoxy-3-iminopropanoate…

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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 1.96 -11.51 2 4 0 62 159.185 5 ↓
Ref Reference (pH 7) 0.56 1.27 -5.9 2 4 0 62 159.185 5 ↓

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Popular Name: (S)-Butyl 2-aminopropanoate (S)-Butyl 2-aminopropanoate

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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) 0.82 2.82 -41.79 3 3 1 54 146.21 5 ↓
Mid Mid (pH 6-8) 0.82 2.49 -3.49 2 3 0 52 145.202 5 ↓

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Popular Name: 4-Chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine 4-Chloro-5-methylpyrrolo[2,1-f][…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.77 5.19 -6.44 0 3 0 30 167.599 0 ↓

Analogs

22114009
22114009

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Popular Name: 1-Boc-(2-Hydroxymethyl)piperazine 1-Boc-(2-Hydroxymethyl)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 0.24 -46.38 3 5 1 66 217.289 3 ↓
Mid Mid (pH 6-8) 0.03 -1.15 -6.95 2 5 0 62 216.281 3 ↓

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Popular Name: Methyl 5-bromoquinoline-2-carboxylate Methyl 5-bromoquinoline-2-carbox…

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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) 2.91 6.01 -6.85 0 3 0 39 266.094 2 ↓

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page.format = basic
page.num = 1
catalog.name = bepharmbb
filter.purchasability = purchasable

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1 AND c.short_name LIKE 'bepharmbb' AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

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