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

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl [(1S,4R)-4-acetamidocyclopent-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) 0.54 4.14 -10.81 1 4 0 55 197.234 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-Acetyl-piperidine-4-carboxylic acid methyl ester 1-Acetyl-piperidine-4-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) 0.34 4.27 -11.26 0 4 0 47 185.223 2 ↓

    Analogs

    38522682
    38522682

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4,5-Pyridazinediol, hexahydro-3-(hydroxymethyl)-, (3R,4R,5S)- (9CI) 4,5-Pyridazinediol, hexahydro-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) -2.22 -8.43 -7.09 5 5 0 85 148.162 1 ↓
    Lo Low (pH 4.5-6) -2.22 -7.83 -38.82 6 5 1 89 149.17 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 3.90 9.5 -6.23 0 2 0 26 244.677 1 ↓
    Ref Reference (pH 7) 3.90 9.5 -6.24 0 2 0 26 244.677 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-ethyl-1,1,1-trifluoro-methanesulfonamide N-ethyl-1,1,1-trifluoro-methanes…

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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 -1.23 -6.26 1 3 0 46 177.147 3 ↓
    Mid Mid (pH 6-8) 3.40 -1.49 -29.83 0 3 -1 48 176.139 3 ↓

    Analogs

    34552736
    34552736

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(hexyloxy)benzaldehyde 3-(hexyloxy)benzaldehyde

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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) 4.21 2.08 -8.85 0 2 0 26 206.285 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Butanone, 4-fluoro-3-(fluoromethyl)-3-methyl- (9CI) 2-Butanone, 4-fluoro-3-(fluorome…

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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) 1.07 4.06 -6.99 0 1 0 17 136.141 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2'-Bromo-4-fluoro-biphenyl 2'-Bromo-4-fluoro-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) 4.66 8.6 -3.61 0 0 0 0 251.098 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-chlorophenyl)-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine (3-chlorophenyl)-(7H-pyrrolo[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) 3.32 -0.89 -9.9 2 4 0 53 244.685 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-Chlorophenyl)ethanethiol 2-(3-Chlorophenyl)ethanethiol

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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) 3.09 6.64 -2.4 0 0 0 0 172.68 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-Benzothiazolol, 4,5,7-trimethyl-2-[(4-pyridinylmethyl)amino]- 6-Benzothiazolol, 4,5,7-trimethy…

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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) 3.35 5.44 -9.71 2 4 0 58 299.399 3 ↓
    Lo Low (pH 4.5-6) 3.35 5.83 -31.4 3 4 1 59 300.407 3 ↓
    Lo Low (pH 4.5-6) 3.35 5.89 -42.64 3 4 1 59 300.407 3 ↓

    Analogs

    26377
    26377

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-benzyl-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide N-benzyl-6-ethoxy-4-oxo-1H-quino…

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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 6.97 -17.29 2 5 0 71 322.364 5 ↓
    Hi High (pH 8-9.5) 2.94 6.8 -55.25 1 5 -1 74 321.356 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: tert-butyl tert-butyl

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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) 4.83 5.71 -6.77 1 5 0 59 286.416 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,5-dichlorophenyl)thiazol-2-amine N-(2,5-dichlorophenyl)thiazol-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) 4.27 -0.26 -4.43 1 2 0 25 245.134 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-ethoxyethoxy)-4-methyl-aniline 3-(2-ethoxyethoxy)-4-methyl-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) 1.71 3.58 -6.09 2 3 0 44 195.262 5 ↓

    Analogs

    21019432
    21019432

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,2-dimethylpropyl)-4-(trifluoromethyl)aniline N-(2,2-dimethylpropyl)-4-(triflu…

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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) 4.39 7.27 -2.49 1 1 0 12 231.261 4 ↓

    Analogs

    120294
    120294
    2046798
    2046798

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6alpha-Methylpregn-4-ene-3,20-dione; 6alpha-Methylprogesterone; 903-71-9; C14586 6alpha-Methylpregn-4-ene-3,20-di…

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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) 4.28 2.93 -8.91 0 2 0 34 328.496 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-2-isobutylcyclohexan-1-ol (1R,2R)-2-isobutylcyclohexan-1-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) 3.10 4.24 -2.59 1 1 0 20 156.269 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-2-isobutylcyclohexan-1-ol (1R,2S)-2-isobutylcyclohexan-1-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) 3.10 4.44 -2.32 1 1 0 20 156.269 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-2-isobutylcyclohexan-1-ol (1S,2R)-2-isobutylcyclohexan-1-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) 3.10 4.06 -3.03 1 1 0 20 156.269 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-2-isobutylcyclohexan-1-ol (1S,2S)-2-isobutylcyclohexan-1-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) 3.10 4.23 -2.67 1 1 0 20 156.269 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,3,4-Tri-O-benzoyl-L-fucopyranose 2,3,4-Tri-O-benzoyl-L-fucopyranose

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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) 5.21 13.47 -16.18 1 8 0 108 476.481 9 ↓

    Analogs

    12468711
    12468711

    Draw Identity 99% 90% 80% 70%

    Popular Name: (7R)-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (7R)-5-methyl-7-phenyl-1,7-dihyd…

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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 8.67 -12.97 0 4 0 43 212.256 1 ↓

    Analogs

    12468714
    12468714

    Draw Identity 99% 90% 80% 70%

    Popular Name: (7S)-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (7S)-5-methyl-7-phenyl-1,7-dihyd…

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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 8.67 -13 0 4 0 43 212.256 1 ↓

    Analogs

    13140223
    13140223
    13514886
    13514886
    13597437
    13597437
    4557081
    4557081

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-Thioguanosine 6-Thioguanosine

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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 -2.3 -27.44 6 9 0 142 299.312 2 ↓

    Analogs

    13514886
    13514886
    13597437
    13597437
    12958495
    12958495
    4557081
    4557081

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-amino-9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione 2-amino-9-[(2R,3S,4S,5R)-3,4-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) -1.67 -3.81 -25.56 6 9 0 142 299.312 2 ↓

    Analogs

    4557081
    4557081

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-Thioguanosine 6-Thioguanosine

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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 -2.91 -25.45 6 9 0 142 299.312 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: n-butyl-2-chloro-acetamide n-butyl-2-chloro-acetamide

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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 1.72 -7.15 2 2 0 43 149.621 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: n-butyl-2-chloro-acetamide n-butyl-2-chloro-acetamide

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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 1.72 -7.15 2 2 0 43 149.621 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-phenylphenoxy)butan-2-one 1-(2-phenylphenoxy)butan-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
    Ref Reference (pH 7) 3.79 10.21 -11.5 0 2 0 26 240.302 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: lumiflavin lumiflavin

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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) 1.59 -2.99 -16.17 1 6 0 80 256.265 0 ↓

    Analogs

    2392630
    2392630

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Cyanobenzophenone 4-Cyanobenzophenone

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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) 3.15 3.18 -8.61 0 2 0 40 207.232 2 ↓

    Analogs

    34402734
    34402734
    34402735
    34402735
    34402736
    34402736
    34402737
    34402737
    34628181
    34628181

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-Methylcycloheptanol 1-Methylcycloheptanol

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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 -0.89 -1.56 1 1 0 20 128.215 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(Chloromethyl)benzimidazole 2-(Chloromethyl)benzimidazole

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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) 2.11 -1.18 -8.49 1 2 0 29 166.611 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenyl-4H-chromene-4-thione 2-phenyl-4H-chromene-4-thione

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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) 4.08 0.47 -15.26 0 1 0 13 238.311 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(1,2-Dihydroxyethyl)benzene-1,2-diol 4-(1,2-Dihydroxyethyl)benzene-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) -0.47 -5.25 -8.65 4 4 0 81 170.164 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(1,2-Dihydroxyethyl)benzene-1,2-diol 4-(1,2-Dihydroxyethyl)benzene-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) -0.47 -5.27 -8.85 4 4 0 81 170.164 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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 1.39 -9.98 1 3 0 46 179.285 6 ↓

    Analogs

    30857
    30857
    359582
    359582
    34974112
    34974112

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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 1.6 -6.73 1 2 0 29 205.301 3 ↓

    Analogs

    39283324
    39283324

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    Popular Name: 2-Ethoxy thiophenol 2-Ethoxy 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) 2.55 4.93 -3.94 0 1 0 9 154.234 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (S)-11-Dimethoxymethyl-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (S)-11-Dimethoxymethyl-4-ethyl-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) 2.17 6.37 -12.81 1 8 0 100 422.437 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Isoxazolesulfinic acid, 3,5-dimethyl- (9CI) 4-Isoxazolesulfinic acid, 3,5-di…

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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) -1.65 -1.08 -17.88 1 4 0 63 161.182 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Isoxazolesulfinic acid, 3,5-dimethyl- (9CI) 4-Isoxazolesulfinic acid, 3,5-di…

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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) -1.65 -1.05 -18.14 1 4 0 63 161.182 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Butanamide, N-cyclohexyl-4-[(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)amino]- Butanamide, N-cyclohexyl-4-[(6-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) 4.79 6.82 -14.17 3 5 0 74 375.538 6 ↓
    Lo Low (pH 4.5-6) 4.79 7.21 -32.78 4 5 1 75 376.546 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2-methylphenoxy)methyl]pyridine 2-[(2-methylphenoxy)methyl]pyridine

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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 6.82 -5.36 0 2 0 22 199.253 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-2-(4-methoxyphenyl)sulfanylcyclohexanol (1R,2S)-2-(4-methoxyphenyl)sulfa…

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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) 3.18 5.2 -5.23 1 2 0 29 238.352 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-2-(4-methoxyphenyl)sulfanylcyclohexanol (1R,2R)-2-(4-methoxyphenyl)sulfa…

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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) 3.18 5.05 -5.57 1 2 0 29 238.352 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-2-(4-methoxyphenyl)sulfanylcyclohexanol (1S,2S)-2-(4-methoxyphenyl)sulfa…

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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) 3.18 5.05 -5.4 1 2 0 29 238.352 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-2-(4-methoxyphenyl)sulfanylcyclohexanol (1S,2R)-2-(4-methoxyphenyl)sulfa…

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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) 3.18 5.2 -5.11 1 2 0 29 238.352 3 ↓

    Analogs

    43446664
    43446664
    43446668
    43446668
    43447484
    43447484

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 1.55 5.86 -12.09 0 5 0 65 298.092 3 ↓

    Parameters Provided:

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catalog.name = ibm
filter.purchasability = purchasable

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