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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: (2Z,5Z)-2-(2-chlorophenyl)imino-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylene]thiazolidin-4-one (2Z,5Z)-2-(2-chlorophenyl)imino-…

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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) 6.88 12.38 -16.21 1 7 0 100 465.918 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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 4.19 -52.73 2 6 -1 98 297.356 6 ↓

    Analogs

    5925367
    5925367

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-chloro-3-methyl-phenoxy)-N-(2-pyridylmethyleneamino)propanamide 2-(4-chloro-3-methyl-phenoxy)-N-…

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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) 3.31 -0.41 -21.3 1 5 0 63 317.776 5 ↓

    Analogs

    27551940
    27551940
    27551944
    27551944
    28050456
    28050456
    3061491
    3061491

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-benzylideneaminoimino-4-oxo-thiazolidin-5-yl)acetic 2-(2-benzylideneaminoimino-4-oxo…

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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) 0.66 -0.58 -47.57 1 6 -1 93 276.297 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-2-amino-4-keto-N-(3-nitrophenyl)-5,6-dihydro-1,3-thiazine-6-carboxamide (6R)-2-amino-4-keto-N-(3-nitroph…

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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 1.71 -19.14 3 8 0 130 294.292 3 ↓
    Hi High (pH 8-9.5) 0.34 1.73 -40.03 2 8 -1 128 293.284 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2,6-dimethylphenyl)-5-[3-(4-methylpiperazin-1-yl)propyl]-1,3,5-triazinane-2-thione 1-(2,6-dimethylphenyl)-5-[3-(4-m…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.09 9.56 -48.93 2 5 1 26 362.567 5 ↓
    Hi High (pH 8-9.5) 3.09 7.09 -13.96 1 5 0 25 361.559 5 ↓
    Mid Mid (pH 6-8) 3.09 9.42 -54.95 2 5 1 26 362.567 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 3.14 -0.16 -21.05 2 5 0 69 325.752 5 ↓

    Analogs

    5701171
    5701171

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4Z)-5-keto-1-(3-methoxypropyl)-2-methyl-4-salicylidene-2-pyrroline-3-carboxylic-acid-methyl-ester (4Z)-5-keto-1-(3-methoxypropyl)-…

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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) 2.07 0.78 -11.55 1 6 0 77 331.368 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-benzoxy-N-(4-fluoro-3-nitro-phenyl)benzamide 4-benzoxy-N-(4-fluoro-3-nitro-ph…

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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) 4.53 1.8 -12.78 1 6 0 84 366.348 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ureidooxymethoxyurea ureidooxymethoxyurea

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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 -6.26 -25.5 6 8 0 128 164.121 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 2.80 7.13 -13.48 1 6 0 88 315.713 4 ↓
    Hi High (pH 8-9.5) 2.99 5.87 -35.37 0 6 -1 94 314.705 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-(benzotriazol-1-yl)ethyl]-1,1-diketo-1,2-benzothiazol-3-one 2-[2-(benzotriazol-1-yl)ethyl]-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) 1.52 -4.03 -16.35 0 7 0 85 328.353 3 ↓

    Analogs

    32008821
    32008821
    37850041
    37850041
    10474603
    10474603

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2-phenylethyl)amino]-2-propanol 1-[(2-phenylethyl)amino]-2-propanol

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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) 1.28 3.6 -38.22 3 2 1 37 180.271 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) -0.38 -2.51 -12.4 1 6 0 60 266.297 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-benzyl-3-(6,6-dimethyl-4-oxotetrahydro-2H-pyran-3-yl)-3-hydroxy-1,3-dihydro-2H-indol-2-one 1-benzyl-3-(6,6-dimethyl-4-oxote…

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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 7.1 -8.88 1 5 0 67 365.429 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-(2-chlorobenzyl)oxybenzylidene]-1,5-dioxaspiro[5.5]undecane-2,4-quinone 3-[2-(2-chlorobenzyl)oxybenzylid…

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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) 6.21 2.05 -9.29 0 5 0 61 412.869 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5E)-5-[2-(2-chlorobenzyl)oxybenzylidene]thiazolidine-2,4-quinone (5E)-5-[2-(2-chlorobenzyl)oxyben…

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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) 3.72 -1.26 -6.69 1 4 0 59 345.807 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: BRD-K63733271-001-01-5 BRD-K63733271-001-01-5

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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) 5.63 4.13 -13.79 0 4 0 60 368.388 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methylbenzoic-acid-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxy-benzylidene]amino]-ester 4-methylbenzoic-acid-[(E)-[3-[(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) 5.79 5.35 -11.36 0 5 0 57 393.414 8 ↓

    Analogs

    5095069
    5095069

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-2-(2-nitrophenyl)-9-phenyl-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitrile 4-amino-2-(2-nitrophenyl)-9-phen…

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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 4.58 -13.85 3 8 0 134 359.345 3 ↓
    Lo Low (pH 4.5-6) 2.81 5.59 -60.94 4 8 1 135 360.353 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2-benzyloxyphenyl)methyleneamino]-N'-(4-bromophenyl)butanediamide N-[(2-benzyloxyphenyl)methylenea…

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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) 5.14 10.96 -18.75 2 6 0 80 480.362 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-2-cyano-3-[2,5-dimethyl-3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]thioacrylamide (E)-2-cyano-3-[2,5-dimethyl-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) 3.05 2.14 -14.86 2 4 0 67 364.396 5 ↓

    Analogs

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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) 4.41 4.93 -9.65 3 5 0 74 324.167 3 ↓
    Mid Mid (pH 6-8) 3.50 3.4 -36.49 4 5 1 79 325.175 4 ↓
    Mid Mid (pH 6-8) 3.50 4.18 -30.71 3 5 0 82 324.167 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-[2-(4-phenoxyphenyl)aminothiazol-4-yl]phenyl]isoindoline-1,3-dione 2-[3-[2-(4-phenoxyphenyl)aminoth…

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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) 7.46 0.76 -17.3 1 6 0 73 489.556 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-(2-furyl)-2-(4-phenoxyphenyl)amino-7,8-dihydro-6H-quinazolin-5-one 7-(2-furyl)-2-(4-phenoxyphenyl)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) 4.98 1.6 -9.48 1 6 0 77 397.434 5 ↓

    Analogs

    32149438
    32149438
    36611921
    36611921

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(E)-(3-methyl-2-thienyl)methyleneamino]-2-thioxo-thiazolidin-4-one 3-[(E)-(3-methyl-2-thienyl)methy…

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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 -1.19 -13.85 0 3 0 32 256.377 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N-dimethyl-N'-(2-phenylbenzotriazol-5-yl)formamidine N,N-dimethyl-N'-(2-phenylbenzotr…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.56 8.12 -13.55 0 5 0 46 265.32 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,3R)-3-[2-keto-2-(p-anisidino)ethyl]-N-(4-methoxyphenyl)-2,2-dimethyl-cyclobutanecarboxamide (1R,3R)-3-[2-keto-2-(p-anisidino…

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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) 4.33 -0.15 -13.94 2 6 0 76 396.487 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2-iodophenyl)thiocarbamoyl]nicotinamide N-[(2-iodophenyl)thiocarbamoyl]n…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.18 -2.74 -14.46 2 4 0 54 383.214 4 ↓

    Analogs

    4357797
    4357797

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile 2-[2-(1-adamantyl)-2-oxo-ethyl]s…

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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) 4.26 1.71 -11.44 0 3 0 53 340.492 4 ↓

    Analogs

    10267197
    10267197

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-(2,6-dichlorophenyl)acetamide 2-[(3-cyano-4,6-dimethyl-2-pyrid…

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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 0.72 -14.46 1 4 0 65 366.273 4 ↓

    Analogs

    3475343
    3475343
    4784529
    4784529

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-fluoro-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide 4-fluoro-N-[(E)-(6-nitro-1,3-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) 3.04 0.83 -20.98 1 8 0 105 331.259 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[5-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-yl]phenyl]-4-nitro-benzamide N-[4-[5-(1,3-benzoxazol-2-yl)-1H…

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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) 6.08 10.57 -19.58 2 9 0 130 475.464 5 ↓
    Lo Low (pH 4.5-6) 6.08 10.99 -46.36 3 9 1 131 476.472 5 ↓

    Analogs

    6331369
    6331369
    31564761
    31564761
    31564762
    31564762

    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) 2.62 2.02 -12.77 1 4 0 54 287.266 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-6-amino-3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonit (4R)-6-amino-3-(1,3-benzodioxol-…

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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) 3.46 4.34 -11.19 3 7 0 106 392.802 2 ↓
    Lo Low (pH 4.5-6) 3.46 4.55 -63.28 4 7 1 108 393.81 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-{4-nitrophenyl}-2-oxoethyl 2-cyclohexene-1-carboxylate 2-{4-nitrophenyl}-2-oxoethyl 2-c…

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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) 2.83 3.34 -10.09 0 6 0 89 289.287 6 ↓

    Analogs

    6221981
    6221981
    6222639
    6222639
    33741250
    33741250
    33777657
    33777657

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(E)-(4-isopropylbenzylidene)amino]-1-(4-nitrobenzyl)pyrazole-3-carboxamide N-[(E)-(4-isopropylbenzylidene)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) 4.85 1.42 -21.88 1 8 0 105 391.431 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.56 -1.28 -61.96 2 7 -1 111 363.349 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(3,5-dichloro-2-pyridyl)sulfanyl]-N-[(5-nitro-2-furyl)methyleneamino]acetamide 2-[(3,5-dichloro-2-pyridyl)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) 3.50 5.87 -25.96 1 8 0 113 375.193 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(5Z)-5-[(1-isopropylindol-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzamide N-[(5Z)-5-[(1-isopropylindol-3-y…

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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 12.4 -18.11 1 5 0 56 421.547 4 ↓
    Hi High (pH 8-9.5) 3.71 11.76 -59.24 0 5 -1 62 420.539 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-chlorophenyl) (4-chlorophenyl)

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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 6.34 -9.23 1 5 0 56 251.673 4 ↓
    Mid Mid (pH 6-8) 1.66 6.82 -40.51 2 5 1 57 252.681 4 ↓

    Analogs

    2977510
    2977510

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylene]-2-thioxo-thiazolidin-4-one 5-[[5-chloro-2-[(4-fluorophenyl)…

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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) 4.25 -1.53 -11.06 1 3 0 42 379.865 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-benzyl-N'-[2-(1H-indol-3-yl)ethyl]oxamide N-benzyl-N'-[2-(1H-indol-3-yl)et…

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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 -3.62 -9.78 3 5 0 73 321.38 6 ↓

    Analogs

    3978012
    3978012
    3978013
    3978013
    3978014
    3978014
    3978043
    3978043
    3978044
    3978044

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopent 9-fluoro-11,17-dihydroxy-17-(2-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) 1.58 -2.41 -12.78 3 5 0 94 378.44 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(1H-indol-3-yl)-N-[(5-nitro-2-thienyl)methyleneamino]propanamide 3-(1H-indol-3-yl)-N-[(5-nitro-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) 3.84 -1.98 -24.92 2 7 0 103 342.38 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-3-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-urea 1-(2,5-dioxabicyclo[4.4.0]deca-7…

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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) 3.46 -0.74 -10.03 2 5 0 59 352.312 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 2.42 -0.93 -12.54 1 4 0 54 273.723 3 ↓

    Analogs

    12560383
    12560383
    12560385
    12560385
    9090680
    9090680

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(3R,3aS,7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4 4-[(3R,3aS,7E)-3-(4-nitrophenyl)…

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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) 4.29 13.64 -58.5 0 11 -1 164 477.453 7 ↓

    Analogs

    12844353
    12844353
    12950224
    12950224
    12844349
    12844349

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7R)-3-chloro-5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydro (5S,7R)-3-chloro-5-(4-chlorophen…

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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) 3.66 11.04 -42.51 3 7 1 78 488.321 7 ↓
    Mid Mid (pH 6-8) 3.84 10.94 -44.29 3 7 1 82 488.321 7 ↓
    Mid Mid (pH 6-8) 3.84 11.45 -84.83 4 7 2 83 489.329 7 ↓

    Analogs

    2379919
    2379919

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(E)-(2,4-dihydroxybenzylidene)amino]-2-(1-naphthylamino)acetamide N-[(E)-(2,4-dihydroxybenzylidene…

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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) 3.47 2.97 -17.08 4 6 0 94 335.363 5 ↓

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