UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(3-bromophenyl)-1,2,4-oxadiazole 3-(3-bromophenyl)-1,2,4-oxadiazole

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 3.55 -8.06 0 3 0 39 225.045 1 ↓

Analogs

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Popular Name: 4-Iodo-3,5-dimethylisoxazole 4-Iodo-3,5-dimethylisoxazole

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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 4.37 -3.78 0 2 0 26 223.013 0 ↓

Analogs

6093077
6093077

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Popular Name: 4-Bromoaniline 4-Bromoaniline

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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 2.99 -2.81 2 1 0 26 172.025 0 ↓

Analogs

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Popular Name: 4-Bromophenol 4-Bromophenol

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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 -1.53 -3.24 1 1 0 20 173.009 0 ↓

Analogs

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Popular Name: 2-Amino-5-bromopyridine 2-Amino-5-bromopyridine

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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 2.07 -3.85 2 2 0 39 173.013 0 ↓

Analogs

4552064
4552064
6380065
6380065
16947568
16947568
34547359
34547359
34564743
34564743

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Popular Name: 4'-Methylbiphenyl-2-carboxylic acid methyl ester 4'-Methylbiphenyl-2-carboxylic 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) 3.96 3.08 -7.23 0 2 0 26 226.275 3 ↓

Analogs

1257545
1257545
1259384
1259384
1259521
1259521
1259699
1259699
40174807
40174807

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Popular Name: 2-Cyano-4'-methylbiphenyl 2-Cyano-4'-methylbiphenyl

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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) 3.89 3.21 -6.98 0 1 0 23 193.249 1 ↓

Analogs

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Popular Name: 3-Bromo-N-phenylcarbazole 3-Bromo-N-phenylcarbazole

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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) 5.59 12.4 -5.65 0 1 0 5 322.205 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Bromo-1-(pyridin-4-ylmethyl)pyrazole 4-Bromo-1-(pyridin-4-ylmethyl)py…

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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) 1.43 4.99 -7.94 0 3 0 31 238.088 2 ↓
Lo Low (pH 4.5-6) 1.43 5.44 -36.43 1 3 1 32 239.096 2 ↓

Analogs

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Popular Name: 3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole 3-(4-bromophenyl)-5-methyl-1,2,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.84 -0.64 -6.09 0 3 0 39 239.072 1 ↓

Analogs

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Popular Name: tert-Butyl 4-iodo-1H-pyrazole-1-carboxylate tert-Butyl 4-iodo-1H-pyrazole-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) 2.43 5.01 -5.15 0 4 0 44 294.092 2 ↓

Analogs

2599339
2599339
5310627
5310627
44238644
44238644

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Popular Name: tert-butyl (4-bromophenyl)carbamate tert-butyl (4-bromophenyl)carbamate

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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) 3.64 -0.35 -5.23 1 3 0 38 272.142 3 ↓

Analogs

2598024
2598024

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Popular Name: 5-bromo-1,3-benzoxazole 5-bromo-1,3-benzoxazole

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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) 2.51 -1.42 -6.58 0 2 0 26 198.019 0 ↓

Analogs

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Popular Name: 4-(4-bromobenzyl)morpholine 4-(4-bromobenzyl)morpholine

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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 4.22 -3.2 0 2 0 12 256.143 2 ↓

Analogs

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Popular Name: 4'-Chloro-[1,1'-biphenyl]-4-amine 4'-Chloro-[1,1'-biphenyl]-4-amine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.49 -0.46 -3.94 2 1 0 26 203.672 1 ↓

Analogs

34331205
34331205

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Popular Name: 5-Bromo-2-(methylthio)pyrimidine 5-Bromo-2-(methylthio)pyrimidine

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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) 2.44 -1.4 -3.97 0 2 0 26 205.08 1 ↓

Analogs

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Popular Name: 3'-Aminobiphenyl-4-carbonitrile 3'-Aminobiphenyl-4-carbonitrile

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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) 2.54 1.06 -6.34 2 2 0 50 194.237 1 ↓

Analogs

3159260
3159260

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Popular Name: 3'-Hydroxy-[1,1'-biphenyl]-3-carbonitrile 3'-Hydroxy-[1,1'-biphenyl]-3-car…

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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) 2.96 1.15 -7.51 1 2 0 44 195.221 1 ↓

Analogs

40881
40881

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Popular Name: 4'-Hydroxy-[1,1'-biphenyl]-3-carbonitrile 4'-Hydroxy-[1,1'-biphenyl]-3-car…

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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) 2.98 5.45 -8 1 2 0 44 195.221 1 ↓

Analogs

39927777
39927777
39927779
39927779

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Popular Name: 6-(4-fluorophenyl)pyridine-2-carbaldehyde 6-(4-fluorophenyl)pyridine-2-car…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 6.08 -7.31 0 2 0 30 201.2 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Bromo-1-methyl-1H-pyrazole 4-Bromo-1-methyl-1H-pyrazole

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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) 1.12 2.9 -5.13 0 2 0 18 161.002 0 ↓

Analogs

1257545
1257545
1257868
1257868
1720496
1720496

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Popular Name: 4,4'-Biphenyldicarbonitrile 4,4'-Biphenyldicarbonitrile

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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) 3.24 4.49 -9.94 0 2 0 47 204.232 1 ↓

Analogs

44240263
44240263

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Popular Name: tert-Butyl N-(4-iodophenyl)carbamate tert-Butyl N-(4-iodophenyl)carba…

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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 -0.43 -4.98 1 3 0 38 319.142 3 ↓

Analogs

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Popular Name: methyl 4-(3-aminophenyl)benzoate methyl 4-(3-aminophenyl)benzoate

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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) 2.96 0.82 -7.19 2 3 0 52 227.263 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-Bromophenyl)-1,2,4-oxadiazole 3-(4-Bromophenyl)-1,2,4-oxadiazole

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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) 2.62 3.7 -6.9 0 3 0 39 225.045 1 ↓

Analogs

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Popular Name: 3-(3-bromophenyl)-5-methyl-1,2,4-oxadiazole 3-(3-bromophenyl)-5-methyl-1,2,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 4.43 -6.94 0 3 0 39 239.072 1 ↓

Analogs

42203794
42203794
42203797
42203797
44240272
44240272
44240275
44240275
44240282
44240282

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Popular Name: tert-butyl 2-bromobenzylcarbamate tert-butyl 2-bromobenzylcarbamate

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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) 3.29 -1.13 -5.84 1 3 0 38 286.169 4 ↓

Analogs

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Popular Name: 4-Thiophen-3-yl-benzonitrile 4-Thiophen-3-yl-benzonitrile

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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) 3.08 2.5 -6.02 0 1 0 23 185.251 1 ↓

Analogs

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Popular Name: 3-bromo-N'-hydroxybenzenecarboximidamide 3-bromo-N'-hydroxybenzenecarboxi…

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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) 1.04 1.79 -5.45 3 3 0 59 215.05 1 ↓
Ref Reference (pH 7) 1.04 2 -5.16 3 3 0 59 215.05 1 ↓
Mid Mid (pH 6-8) 1.17 2.86 -16.72 3 3 0 61 215.05 2 ↓

Analogs

3199303
3199303
3473497
3473497

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Popular Name: 5-bromo-2,1,3-benzothiadiazole 5-bromo-2,1,3-benzothiadiazole

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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) 2.82 -2.65 -4.03 0 2 0 26 215.075 0 ↓

Analogs

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Popular Name: 4-Thiophen-2-ylbenzoic acid methyl ester 4-Thiophen-2-ylbenzoic acid meth…

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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) 3.69 2.05 -6.44 0 2 0 26 218.277 3 ↓

Analogs

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Popular Name: 3,4,5-Tribromopyrazole 3,4,5-Tribromopyrazole

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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) 2.19 1.37 -1.65 0 2 0 25 304.767 0 ↓

Analogs

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Popular Name: 3,4,5-Tribromopyrazole 3,4,5-Tribromopyrazole

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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) 2.19 1.37 -1.65 0 2 0 25 304.767 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Methyl 4'-hydroxy-[1,1'-biphenyl]-3-carboxylate Methyl 4'-hydroxy-[1,1'-biphenyl…

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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) 3.40 5.71 -9.09 1 3 0 47 228.247 3 ↓

Analogs

731160
731160

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Popular Name: 4-Cyano-4'-hydroxybiphenyl 4-Cyano-4'-hydroxybiphenyl

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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 1.15 -7.73 1 2 0 44 195.221 1 ↓

Analogs

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Popular Name: Methyl 4-(3-thienyl)benzoate Methyl 4-(3-thienyl)benzoate

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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) 3.49 2.25 -6.65 0 2 0 26 218.277 3 ↓

Analogs

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Popular Name: 6-(2-Thienyl)-2-pyridinecarboxaldehyde 6-(2-Thienyl)-2-pyridinecarboxal…

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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 5.07 -6.49 0 2 0 30 189.239 2 ↓

Analogs

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Popular Name: 3-bromofuran 3-bromofuran

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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) 1.69 3.08 -3.07 0 1 0 13 146.971 0 ↓

Analogs

1258019
1258019

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Popular Name: Methyl 3'-formyl-[1,1'-biphenyl]-4-carboxylate Methyl 3'-formyl-[1,1'-biphenyl]…

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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) 3.67 3.27 -11.13 0 3 0 43 240.258 4 ↓

Analogs

12405155
12405155

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Popular Name: N,N,N',N'-Tetramethyl-L-tartramide N,N,N',N'-Tetramethyl-L-tartramide

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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) -3.16 -3.32 -15.94 2 6 0 81 204.226 3 ↓

Analogs

22115261
22115261

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Popular Name: Dimethyl 1,4-Cubanedicarboxylate Dimethyl 1,4-Cubanedicarboxylate

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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) 1.71 7.18 -8.37 0 4 0 53 220.224 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Thiophen-2-yl-phenol 4-Thiophen-2-yl-phenol

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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) 3.04 4.33 -4.78 1 1 0 20 176.24 1 ↓

Analogs

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Popular Name: YA-1452 YA-1452

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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 -0.84 -4.93 1 1 0 20 176.24 1 ↓

Analogs

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Popular Name: 2-(3-Bromophenyl)propan-2-ol 2-(3-Bromophenyl)propan-2-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) 2.87 3.8 -4.44 1 1 0 20 215.09 1 ↓

Analogs

33800599
33800599

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Popular Name: 3-Bromophenylacetonitrile 3-Bromophenylacetonitrile

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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) 2.69 2 -8.1 0 1 0 24 196.047 1 ↓

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Popular Name: 5-Bromo-2-chloropyrimidine 5-Bromo-2-chloropyrimidine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 2.95 -3.43 0 2 0 26 193.431 0 ↓

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Popular Name: 4-Iodo-2-methoxyaniline 4-Iodo-2-methoxyaniline

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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) 2.49 2.89 -3.14 2 2 0 35 249.051 1 ↓

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Popular Name: (5-Bromopyrimidin-2-yl)dimethylamine (5-Bromopyrimidin-2-yl)dimethyla…

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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) 1.93 5.65 -4.36 0 3 0 29 202.055 1 ↓

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Popular Name: 4-Iodo-1-methyl-1H-pyrazole 4-Iodo-1-methyl-1H-pyrazole

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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 3.37 -4.72 0 2 0 18 208.002 0 ↓

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Popular Name: Methyl 4'-amino-[1,1'-biphenyl]-3-carboxylate Methyl 4'-amino-[1,1'-biphenyl]-…

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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) 2.96 0.82 -8.29 2 3 0 52 227.263 3 ↓

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = boroncore
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 'boroncore' 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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