UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[5-[(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]-2-furyl]benzonitrile 2-[5-[(3-oxo-2,8-diazaspiro[4.5]…

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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) 2.34 8.47 -52.93 2 5 1 70 336.415 3 ↓

Analogs

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Popular Name: 8-[(E)-pent-3-enoyl]-2,8-diazaspiro[4.5]decan-3-one 8-[(E)-pent-3-enoyl]-2,8-diazasp…

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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 3.73 -14.85 1 4 0 49 236.315 2 ↓

Analogs

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Popular Name: 8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one 8-(7-chloroquinoxalin-2-yl)-2,8-…

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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) 2.33 4.92 -11.89 1 5 0 58 316.792 1 ↓

Analogs

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Popular Name: 8-[(3-vinylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one 8-[(3-vinylphenyl)methyl]-2,8-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) 2.28 7.17 -51.64 2 3 1 34 271.384 3 ↓

Analogs

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Popular Name: 8-(2-chloropyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one 8-(2-chloropyridine-4-carbonyl)-…

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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) 0.35 2.93 -13.86 1 5 0 62 293.754 1 ↓

Analogs

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Popular Name: 8-(2-butoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one 8-(2-butoxyacetyl)-2,8-diazaspir…

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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) 0.80 4.25 -17.66 1 5 0 59 268.357 5 ↓

Analogs

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Popular Name: 8-[4-(o-tolyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one 8-[4-(o-tolyl)benzoyl]-2,8-diaza…

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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 8.32 -15.66 1 4 0 49 348.446 2 ↓

Analogs

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Popular Name: 8-[(2-hydroxy-8-methyl-3-quinolyl)methyl]-2,8-diazaspiro[4.5]decan-3-one 8-[(2-hydroxy-8-methyl-3-quinoly…

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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) 1.00 5.89 -51.74 3 5 1 66 326.42 2 ↓

Analogs

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Popular Name: N-[(2,4-dichlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide N-[(2,4-dichlorophenyl)methyl]-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) 2.94 5.22 -13.36 2 5 0 61 356.253 2 ↓

Analogs

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Popular Name: 8-(5-propylthiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one 8-(5-propylthiophene-3-carbonyl)…

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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 5.59 -15.96 1 4 0 49 306.431 3 ↓

Analogs

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Popular Name: 8-[3-(3-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one 8-[3-(3-chlorophenyl)propanoyl]-…

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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) 2.35 6.62 -14.84 1 4 0 49 320.82 3 ↓

Analogs

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Popular Name: 8-(4-methylcyclohexanecarbonyl)-2,8-diazaspiro[4.5]decan-3-one 8-(4-methylcyclohexanecarbonyl)-…

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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) 1.44 5.31 -12.72 1 4 0 49 278.396 1 ↓

Analogs

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Popular Name: 8-[[2-(o-tolyl)thiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one 8-[[2-(o-tolyl)thiazol-5-yl]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) 2.94 6.15 -11.14 1 4 0 45 341.48 3 ↓
Mid Mid (pH 6-8) 2.94 8.39 -51.96 2 4 1 46 342.488 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.29 4.24 -47.91 2 5 1 60 241.311 4 ↓
Mid Mid (pH 6-8) 0.29 2.09 -10.1 1 5 0 59 240.303 4 ↓

Analogs

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Popular Name: 8-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one 8-[[2,4-dimethyl-5-(1,2,4-triazo…

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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) 1.32 10.44 -60.2 2 6 1 64 354.478 4 ↓

Analogs

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Popular Name: 8-[2-(o-tolylsulfanyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one 8-[2-(o-tolylsulfanyl)acetyl]-2,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.83 6.37 -15.77 1 4 0 49 318.442 3 ↓

Analogs

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Popular Name: 8-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one 8-[4-amino-6-(benzylamino)-1,3,5…

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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) 1.77 10.08 -12.97 4 8 0 109 353.43 4 ↓
Lo Low (pH 4.5-6) 1.77 10.41 -39.29 5 8 1 110 354.438 4 ↓

Analogs

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Popular Name: 8-[(3-allyl-4-hydroxy-phenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one 8-[(3-allyl-4-hydroxy-phenyl)met…

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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 5.27 -54.48 3 4 1 54 301.41 4 ↓

Analogs

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Popular Name: 8-(4-methylnaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one 8-(4-methylnaphthalene-1-carbony…

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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 6.99 -15.69 1 4 0 49 322.408 1 ↓

Analogs

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Popular Name: 8-[2-(4-chlorophenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one 8-[2-(4-chlorophenyl)acetyl]-2,8…

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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) 1.86 5.82 -16.75 1 4 0 49 306.793 2 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.92 5.15 -58.12 2 6 1 63 310.418 3 ↓

Analogs

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Popular Name: 8-[1-(2-fluorophenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one 8-[1-(2-fluorophenyl)cyclopropan…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 6.11 -19.52 1 4 0 49 316.376 2 ↓

Analogs

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Popular Name: 8-[(E)-hex-2-enyl]-2,8-diazaspiro[4.5]decan-3-one 8-[(E)-hex-2-enyl]-2,8-diazaspir…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 6.14 -47.06 2 3 1 34 237.367 4 ↓
Hi High (pH 8-9.5) 2.25 3.89 -6.82 1 3 0 32 236.359 4 ↓

Analogs

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Popular Name: N-(2-methylsulfanylphenyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide N-(2-methylsulfanylphenyl)-3-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) 1.79 5.31 -14.84 2 5 0 61 319.43 2 ↓

Analogs

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Popular Name: 8-(3-phenoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one 8-(3-phenoxybenzoyl)-2,8-diazasp…

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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) 2.35 7.15 -14.27 1 5 0 59 350.418 3 ↓

Analogs

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Popular Name: 1-(1-naphthyl)-4-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione 1-(1-naphthyl)-4-(3-oxo-2,8-diaz…

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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 8.21 -16.54 1 5 0 66 364.445 4 ↓

Analogs

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Popular Name: 8-[2-(3,4,5-trimethoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one 8-[2-(3,4,5-trimethoxyphenyl)ace…

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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) 0.81 4.42 -23.15 1 7 0 77 362.426 5 ↓

Analogs

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Popular Name: 8-[(Z)-5-methyl-2-phenyl-hex-2-enyl]-2,8-diazaspiro[4.5]decan-3-one 8-[(Z)-5-methyl-2-phenyl-hex-2-e…

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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) 3.56 9.94 -48.49 2 3 1 34 327.492 5 ↓
Hi High (pH 8-9.5) 3.56 7.61 -7.81 1 3 0 32 326.484 5 ↓

Analogs

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Popular Name: 8-[1-(4-methylanilino)cyclopentanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one 8-[1-(4-methylanilino)cyclopenta…

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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) 2.78 6.75 -14.06 2 5 0 61 355.482 3 ↓

Analogs

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Popular Name: 8-[2-(1,1,2,2-tetrafluoroethoxy)benzoyl]-2,8-diazaspiro[4.5]decan-3-one 8-[2-(1,1,2,2-tetrafluoroethoxy)…

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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) 2.37 5.27 -19.45 1 5 0 59 374.334 4 ↓

Analogs

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Popular Name: 8-[(2-allyloxy-5-chloro-phenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one 8-[(2-allyloxy-5-chloro-phenyl)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) 2.76 7.53 -48.32 2 4 1 43 335.855 5 ↓

Analogs

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Popular Name: 8-[(6-methoxy-2H-chromen-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one 8-[(6-methoxy-2H-chromen-3-yl)me…

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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 5.91 -57.21 2 5 1 52 329.42 3 ↓
Hi High (pH 8-9.5) 2.07 3.7 -11.54 1 5 0 51 328.412 3 ↓

Analogs

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Popular Name: 8-(7-chloro-9-oxo-fluorene-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one 8-(7-chloro-9-oxo-fluorene-1-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) 2.51 8.71 -23.4 1 5 0 66 394.858 1 ↓

Analogs

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Popular Name: 8-(1-isoquinolyl)-2,8-diazaspiro[4.5]decan-3-one 8-(1-isoquinolyl)-2,8-diazaspiro…

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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) 1.99 7.01 -36.93 2 4 1 46 282.367 1 ↓
Mid Mid (pH 6-8) 1.99 6.54 -11.67 1 4 0 45 281.359 1 ↓

Analogs

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Popular Name: 8-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one 8-[2-(dimethylamino)-5,6,7,8-tet…

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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) 2.30 9.02 -12.77 1 6 0 61 329.448 2 ↓
Lo Low (pH 4.5-6) 2.30 9.24 -33.72 2 6 1 63 330.456 2 ↓
Lo Low (pH 4.5-6) 2.30 9.28 -32.86 2 6 1 63 330.456 2 ↓

Analogs

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Popular Name: 2,2-dimethylpropyl 2,2-dimethylpropyl

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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) 1.83 4.33 -12.12 1 5 0 59 268.357 3 ↓

Analogs

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Popular Name: 8-[(3,4,5-trimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one 8-[(3,4,5-trimethoxyphenyl)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) 1.08 5.21 -62.53 2 6 1 61 335.424 5 ↓

Analogs

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Popular Name: [2,6-dimethyl-4-[(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]phenyl] [2,6-dimethyl-4-[(3-oxo-2,8-diaz…

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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) 1.76 8.55 -58.23 2 5 1 60 331.436 4 ↓

Analogs

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Popular Name: 8-(2-allyloxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one 8-(2-allyloxybenzoyl)-2,8-diazas…

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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 5.38 -18.4 1 5 0 59 314.385 4 ↓

Analogs

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Popular Name: 2-hydroxy-3-nitrobenzaldehyde (5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone 2-hydroxy-3-nitrobenzaldehyde (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) 1.86 7.61 -61.1 2 5 1 59 337.447 3 ↓
Hi High (pH 8-9.5) 1.86 5.38 -13.67 1 5 0 58 336.439 3 ↓

Analogs

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Popular Name: 8-[[2-(3-methoxyphenyl)thiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one 8-[[2-(3-methoxyphenyl)thiazol-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) 2.57 4.33 -14.02 1 5 0 54 357.479 4 ↓
Mid Mid (pH 6-8) 2.57 6.55 -57.35 2 5 1 56 358.487 4 ↓

Analogs

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Popular Name: 8-[5-(2-chlorophenyl)furan-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one 8-[5-(2-chlorophenyl)furan-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) 2.89 6.77 -13.48 1 5 0 63 358.825 2 ↓

Analogs

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Popular Name: 2-{[2-(methoxycarbonyl)anilino]carbonyl}cyclohexanecarboxylic acid 2-{[2-(methoxycarbonyl)anilino]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) 0.99 4.84 -52.23 2 4 1 46 280.779 2 ↓
Hi High (pH 8-9.5) 0.99 2.61 -10.06 1 4 0 45 279.771 2 ↓

Analogs

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Popular Name: 8-[(1-ethylindol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one 8-[(1-ethylindol-4-yl)methyl]-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) 2.07 8.44 -46.85 2 4 1 38 312.437 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.46 2.97 -21.42 2 7 0 88 297.355 5 ↓

Analogs

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Popular Name: 8-[6-(isopropylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one 8-[6-(isopropylamino)pyrimidin-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) 0.82 5.18 -12.31 2 6 0 70 289.383 3 ↓
Lo Low (pH 4.5-6) 0.82 5.55 -39.14 3 6 1 71 290.391 3 ↓

Analogs

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Popular Name: N-{4-chloro-3-nitrophenyl}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-{4-nitrophenyl}propanamide N-{4-chloro-3-nitrophenyl}-2-(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) 2.29 5.29 -39.56 2 6 1 65 340.403 1 ↓

Analogs

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Popular Name: 8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one 8-[4-(4-fluorophenyl)butanoyl]-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) 2.13 6.96 -18.2 1 4 0 49 318.392 4 ↓

Analogs

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Popular Name: 8-(4-methoxy-3,5-dimethyl-phenyl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one 8-(4-methoxy-3,5-dimethyl-phenyl…

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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 3.01 -15.41 1 6 0 76 352.456 3 ↓

Analogs

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Popular Name: 8-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one 8-[(6,8-dimethyl-2-oxo-1H-quinol…

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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 6.54 -51.67 3 5 1 66 340.447 2 ↓

Parameters Provided:

ring.id = 398465
filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

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