UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate tert-butyl 5-oxo-1,4,9-triazaspi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.59 0.84 -9.19 2 6 0 71 269.345 2 ↓
Mid Mid (pH 6-8) 0.59 2 -52.5 3 6 1 75 270.353 2 ↓

Analogs

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Popular Name: 3-(3-isobutylisoxazole-5-carbonyl)-7-methyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-(3-isobutylisoxazole-5-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) 1.10 4.63 -48.31 2 7 1 80 335.428 3 ↓
Mid Mid (pH 6-8) 1.10 2.45 -9.73 1 7 0 79 334.42 3 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)-4-(11-oxo-3,7,10-triazaspiro[5.5]undecan-3-yl)butane-1,4-dione 1-(4-methoxyphenyl)-4-(11-oxo-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) 0.62 2.69 -13.23 2 7 0 88 359.426 5 ↓
Mid Mid (pH 6-8) 0.62 3.84 -56.55 3 7 1 92 360.434 5 ↓

Analogs

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Popular Name: 9-[2-(azocan-1-yl)acetyl]-5-methyl-2,5,9-triazaspiro[5.5]undecan-1-one 9-[2-(azocan-1-yl)acetyl]-5-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) 1.07 4.32 -37.53 2 6 1 57 337.488 2 ↓
Hi High (pH 8-9.5) 1.07 3.07 -10.15 1 6 0 56 336.48 2 ↓
Mid Mid (pH 6-8) 1.07 6.5 -94.29 3 6 2 58 338.496 2 ↓

Analogs

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Popular Name: 3-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[[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) 0.82 8.01 -38.4 3 7 1 76 369.493 4 ↓
Hi High (pH 8-9.5) 0.82 6.35 -11.34 2 7 0 75 368.485 4 ↓

Analogs

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Popular Name: 3-(2-isopropyl-4-methyl-pyrimidine-5-carbonyl)-3,7,10-triazaspiro[5.5]undecan-11-one 3-(2-isopropyl-4-methyl-pyrimidi…

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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 1.43 -10.15 2 7 0 87 331.42 2 ↓
Mid Mid (pH 6-8) -0.46 2.59 -54.58 3 7 1 92 332.428 2 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-(11-oxo-3,7,10-triazaspiro[5.5]undecan-3-yl)pyridine-3-carbonitrile 4,6-dimethyl-2-(11-oxo-3,7,10-tr…

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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) 0.88 4.35 -51.83 3 6 1 86 300.386 1 ↓
Mid Mid (pH 6-8) 0.88 3.19 -12.71 2 6 0 81 299.378 1 ↓

Analogs

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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) 1.12 2.28 -45.03 4 7 1 92 334.396 4 ↓
Hi High (pH 8-9.5) 1.12 0.06 -11.57 3 7 0 91 333.388 4 ↓
Hi High (pH 8-9.5) 1.12 3.29 -62.73 3 7 0 95 333.388 4 ↓

Analogs

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Popular Name: 3-[2-(ethylamino)pyrimidine-5-carbonyl]-7-methyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-[2-(ethylamino)pyrimidine-5-ca…

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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) -0.77 3.96 -49.97 3 8 1 92 333.416 3 ↓
Mid Mid (pH 6-8) -0.77 1.79 -10.83 2 8 0 90 332.408 3 ↓

Analogs

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Popular Name: 5-methyl-9-(4-phenylthiazole-2-carbonyl)-2,5,9-triazaspiro[5.5]undecan-1-one 5-methyl-9-(4-phenylthiazole-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) 1.17 5.42 -54.35 2 6 1 67 371.486 2 ↓
Mid Mid (pH 6-8) 1.17 3.24 -15.14 1 6 0 66 370.478 2 ↓

Analogs

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Popular Name: 2-(5-methyl-1-oxo-2,5,9-triazaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic 2-(5-methyl-1-oxo-2,5,9-triazasp…

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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 7.55 -87.92 3 7 1 91 355.418 2 ↓
Hi High (pH 8-9.5) 1.65 5.1 -53.28 1 7 -1 89 353.402 2 ↓
Mid Mid (pH 6-8) 1.65 7.28 -78.45 2 7 0 90 354.41 2 ↓

Analogs

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Popular Name: 9-[(3-allyl-4-allyloxy-phenyl)methyl]-5-methyl-2,5,9-triazaspiro[5.5]undecan-1-one 9-[(3-allyl-4-allyloxy-phenyl)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) 2.65 7.25 -35.42 2 5 1 46 370.517 7 ↓
Hi High (pH 8-9.5) 2.65 5 -7.53 1 5 0 45 369.509 7 ↓

Analogs

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Popular Name: 9-(2-amino-1,3-benzothiazole-5-carbonyl)-5-methyl-2,5,9-triazaspiro[5.5]undecan-1-one 9-(2-amino-1,3-benzothiazole-5-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) 0.38 3.41 -53.86 4 7 1 93 360.463 1 ↓
Mid Mid (pH 6-8) 0.38 1.23 -15.85 3 7 0 92 359.455 1 ↓

Analogs

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Popular Name: 3-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(2,4-dimethyl-6-pyrazol-1-yl-…

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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) 1.85 6.52 -24.95 3 6 1 63 354.478 3 ↓
Hi High (pH 8-9.5) 1.85 4.57 -10.1 2 6 0 62 353.47 3 ↓

Analogs

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Popular Name: 3-[[1-(4-methoxyphenyl)pyrrol-2-yl]methyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[[1-(4-methoxyphenyl)pyrrol-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) 1.51 5.58 -30.72 3 6 1 60 355.462 4 ↓
Mid Mid (pH 6-8) 1.51 3.33 -9.02 2 6 0 59 354.454 4 ↓

Analogs

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Popular Name: 3-[(1-ethylindol-6-yl)methyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(1-ethylindol-6-yl)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) 1.60 6.26 -35.56 3 5 1 50 327.452 3 ↓
Hi High (pH 8-9.5) 1.60 4.01 -9.51 2 5 0 49 326.444 3 ↓

Analogs

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Popular Name: 6-methyl-2-(11-oxo-3,7,10-triazaspiro[5.5]undecan-3-yl)pyridine-3-carboxamide 6-methyl-2-(11-oxo-3,7,10-triaza…

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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 0.7 -50.48 5 7 1 105 304.374 2 ↓
Mid Mid (pH 6-8) -0.82 -0.04 -38.95 5 7 1 102 304.374 2 ↓
Mid Mid (pH 6-8) -0.82 -0.45 -15.64 4 7 0 100 303.366 2 ↓

Analogs

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Popular Name: 9-[2-(1H-imidazol-2-yl)benzoyl]-5-methyl-2,5,9-triazaspiro[5.5]undecan-1-one 9-[2-(1H-imidazol-2-yl)benzoyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.42 5.97 -50.98 3 7 1 83 354.434 2 ↓
Mid Mid (pH 6-8) 0.42 3.46 -33.1 3 7 1 83 354.434 2 ↓
Mid Mid (pH 6-8) 0.42 5.64 -91.16 4 7 2 84 355.442 2 ↓

Analogs

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Popular Name: 3-(7-methyl-11-oxo-3,7,10-triazaspiro[5.5]undecan-3-yl)-3-oxo-N-(p-tolyl)propanamide 3-(7-methyl-11-oxo-3,7,10-triaza…

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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) 0.64 3.87 -21.73 2 7 0 82 358.442 3 ↓
Mid Mid (pH 6-8) 0.64 6.05 -61.86 3 7 1 83 359.45 3 ↓

Analogs

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Popular Name: 9-[(3,5-dichloro-2-hydroxy-phenyl)methyl]-5-methyl-2,5,9-triazaspiro[5.5]undecan-1-one 9-[(3,5-dichloro-2-hydroxy-pheny…

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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 2.71 -35.65 3 5 1 57 359.277 2 ↓
Hi High (pH 8-9.5) 2.19 1.19 -41.14 1 5 -1 59 357.261 2 ↓
Mid Mid (pH 6-8) 2.19 0.45 -7.22 2 5 0 56 358.269 2 ↓

Analogs

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Popular Name: 3-[[3-(4-methoxyphenoxy)phenyl]methyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[[3-(4-methoxyphenoxy)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) 2.74 5.8 -37.98 3 6 1 64 382.484 5 ↓
Hi High (pH 8-9.5) 2.74 3.55 -9.05 2 6 0 63 381.476 5 ↓

Analogs

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Popular Name: 5-methyl-9-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,5,9-triazaspiro[5.5]undecan-1-one 5-methyl-9-[[2-(pyrazol-1-ylmeth…

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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) 1.20 6.17 -32.27 2 6 1 55 354.478 4 ↓
Hi High (pH 8-9.5) 1.20 4.25 -11.21 1 6 0 53 353.47 4 ↓

Analogs

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Popular Name: 3-[(3S)-3-methylsulfanylbutyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(3S)-3-methylsulfanylbutyl]-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) 0.72 3.21 -32.89 3 4 1 46 272.438 4 ↓
Hi High (pH 8-9.5) 0.72 0.96 -7.34 2 4 0 44 271.43 4 ↓

Analogs

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Popular Name: 3-[(3R)-3-methylsulfanylbutyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(3R)-3-methylsulfanylbutyl]-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) 0.72 3.21 -32.62 3 4 1 46 272.438 4 ↓
Hi High (pH 8-9.5) 0.72 0.96 -6.97 2 4 0 44 271.43 4 ↓

Analogs

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Popular Name: 3-[2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]acetyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[2-[3-(4-pyridyl)-1H-1,2,4-tri…

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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) -0.93 0.91 -22.12 3 9 0 116 355.402 3 ↓
Hi High (pH 8-9.5) -0.93 0.56 -56.26 2 9 -1 114 354.394 3 ↓
Mid Mid (pH 6-8) -0.93 2.06 -68.55 4 9 1 120 356.41 3 ↓

Analogs

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Popular Name: 3-[(2-allyloxy-5-chloro-phenyl)methyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(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) 2.26 5.19 -32.6 3 5 1 55 350.87 5 ↓
Hi High (pH 8-9.5) 2.26 2.93 -7.98 2 5 0 54 349.862 5 ↓

Analogs

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Popular Name: 3-[(2R)-1-benzylpyrrolidine-2-carbonyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(2R)-1-benzylpyrrolidine-2-ca…

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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) 0.70 4.91 -37.42 3 6 1 66 357.478 3 ↓
Hi High (pH 8-9.5) 0.70 2.87 -13.51 2 6 0 65 356.47 3 ↓
Mid Mid (pH 6-8) 0.70 6.08 -98.86 4 6 2 70 358.486 3 ↓

Analogs

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Popular Name: 3-[(2S)-1-benzylpyrrolidine-2-carbonyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(2S)-1-benzylpyrrolidine-2-ca…

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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) 0.70 4.72 -40.31 3 6 1 66 357.478 3 ↓
Hi High (pH 8-9.5) 0.70 2.83 -15.69 2 6 0 65 356.47 3 ↓
Mid Mid (pH 6-8) 0.70 5.88 -102.11 4 6 2 70 358.486 3 ↓

Analogs

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Popular Name: 5-methyl-9-[2-(2-pyridyl)acetyl]-2,5,9-triazaspiro[5.5]undecan-1-one 5-methyl-9-[2-(2-pyridyl)acetyl]…

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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) -0.24 4.15 -52.45 2 6 1 67 303.386 2 ↓
Mid Mid (pH 6-8) -0.24 1.96 -14.46 1 6 0 66 302.378 2 ↓

Analogs

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Popular Name: 9-[(2-benzyloxyphenyl)methyl]-5-methyl-2,5,9-triazaspiro[5.5]undecan-1-one 9-[(2-benzyloxyphenyl)methyl]-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) 2.80 7.79 -28.74 2 5 1 46 380.512 5 ↓
Hi High (pH 8-9.5) 2.80 5.51 -8.81 1 5 0 45 379.504 5 ↓

Analogs

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Popular Name: 7-methyl-3-[2-[2-[(1R)-1-methylpropyl]phenoxy]acetyl]-3,7,10-triazaspiro[5.5]undecan-11-one 7-methyl-3-[2-[2-[(1R)-1-methylp…

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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) 2.14 6.08 -13.78 1 6 0 62 373.497 5 ↓
Mid Mid (pH 6-8) 2.14 8.26 -53.91 2 6 1 63 374.505 5 ↓

Analogs

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Popular Name: 7-methyl-3-[2-[2-[(1S)-1-methylpropyl]phenoxy]acetyl]-3,7,10-triazaspiro[5.5]undecan-11-one 7-methyl-3-[2-[2-[(1S)-1-methylp…

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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) 2.14 6.09 -13.78 1 6 0 62 373.497 5 ↓
Mid Mid (pH 6-8) 2.14 8.26 -53.86 2 6 1 63 374.505 5 ↓

Analogs

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Popular Name: 9-(1-isoquinolyl)-5-methyl-2,5,9-triazaspiro[5.5]undecan-1-one 9-(1-isoquinolyl)-5-methyl-2,5,9…

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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) 1.73 7.48 -89.24 3 5 2 51 312.417 1 ↓
Hi High (pH 8-9.5) 1.73 4.84 -8.64 1 5 0 48 310.401 1 ↓
Mid Mid (pH 6-8) 1.73 7.01 -42.49 2 5 1 50 311.409 1 ↓

Analogs

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Popular Name: 3-[(3R)-8-methoxychromane-3-carbonyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(3R)-8-methoxychromane-3-carb…

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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) 0.73 2.45 -12.75 2 7 0 80 359.426 2 ↓
Mid Mid (pH 6-8) 0.73 3.62 -57.74 3 7 1 84 360.434 2 ↓

Analogs

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Popular Name: 3-[(3S)-8-methoxychromane-3-carbonyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(3S)-8-methoxychromane-3-carb…

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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) 0.73 2.46 -14.62 2 7 0 80 359.426 2 ↓
Mid Mid (pH 6-8) 0.73 3.62 -62.51 3 7 1 84 360.434 2 ↓

Analogs

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Popular Name: 3-[(2-isopropylpyrimidin-4-yl)methyl]-7-methyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(2-isopropylpyrimidin-4-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) 0.66 1.31 -8.37 1 6 0 61 317.437 3 ↓
Mid Mid (pH 6-8) 0.66 3.49 -43.96 2 6 1 63 318.445 3 ↓
Mid Mid (pH 6-8) 0.66 3.54 -33.77 2 6 1 63 318.445 3 ↓

Analogs

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Popular Name: 3-[(5R)-3,5-dimethyl-4H-isoxazole-5-carbonyl]-7-methyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(5R)-3,5-dimethyl-4H-isoxazol…

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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) -0.04 0.74 -13.64 1 7 0 74 308.382 1 ↓
Mid Mid (pH 6-8) -0.04 2.91 -52.75 2 7 1 75 309.39 1 ↓

Analogs

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Popular Name: 3-[(5S)-3,5-dimethyl-4H-isoxazole-5-carbonyl]-7-methyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(5S)-3,5-dimethyl-4H-isoxazol…

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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) -0.04 0.72 -13.08 1 7 0 74 308.382 1 ↓
Mid Mid (pH 6-8) -0.04 2.9 -51.62 2 7 1 75 309.39 1 ↓

Analogs

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Popular Name: N-(2-ethylphenyl)-7-methyl-11-oxo-3,7,10-triazaspiro[5.5]undecane-3-carboxamide N-(2-ethylphenyl)-7-methyl-11-ox…

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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) 2.02 6.24 -51.03 3 6 1 66 331.44 2 ↓
Mid Mid (pH 6-8) 2.02 4.05 -11.2 2 6 0 65 330.432 2 ↓

Analogs

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Popular Name: 3-[2-(trifluoromethyl)phenyl]sulfonyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-[2-(trifluoromethyl)phenyl]sul…

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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) 1.31 1.54 -23.76 2 6 0 79 377.388 3 ↓
Mid Mid (pH 6-8) 1.31 2.71 -73.75 3 6 1 83 378.396 3 ↓

Analogs

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Popular Name: 9-[2-[(1S,4S,5S)-5-bicyclo[2.2.1]hept-2-enyl]acetyl]-5-methyl-2,5,9-triazaspiro[5.5]undecan-1-one 9-[2-[(1S,4S,5S)-5-bicyclo[2.2.1…

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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) 1.29 6.21 -51.54 2 5 1 54 318.441 2 ↓
Mid Mid (pH 6-8) 1.29 4.05 -11.56 1 5 0 53 317.433 2 ↓

Analogs

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Popular Name: 3-(2-benzyloxyethyl)-3,7,10-triazaspiro[5.5]undecan-11-one 3-(2-benzyloxyethyl)-3,7,10-tria…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.14 3.88 -32.01 3 5 1 55 304.414 5 ↓
Hi High (pH 8-9.5) 1.14 1.61 -8.02 2 5 0 54 303.406 5 ↓

Analogs

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Popular Name: 5-methyl-9-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbonyl)-2,5,9-triazaspiro[5.5]undecan-1-one 5-methyl-9-(1-oxido-2,1,3-benzox…

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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) 0.26 4.26 -62.99 2 9 1 105 346.367 1 ↓
Mid Mid (pH 6-8) 0.26 2.09 -18.39 1 9 0 104 345.359 1 ↓

Analogs

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Popular Name: 9-[2-(2-methoxyethoxy)acetyl]-5-methyl-2,5,9-triazaspiro[5.5]undecan-1-one 9-[2-(2-methoxyethoxy)acetyl]-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) -1.10 0.17 -15.87 1 7 0 71 299.371 5 ↓
Mid Mid (pH 6-8) -1.10 2.36 -55.83 2 7 1 72 300.379 5 ↓

Analogs

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Popular Name: 3-[(Z)-5-methyl-2-phenyl-hex-2-enyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(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) 3.06 7.5 -32.75 3 4 1 46 342.507 5 ↓
Mid Mid (pH 6-8) 3.06 5.17 -6.13 2 4 0 44 341.499 5 ↓

Analogs

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Popular Name: 3-(3-ethoxypropanoyl)-7-methyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-(3-ethoxypropanoyl)-7-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) -0.25 2.78 -49.23 2 6 1 63 284.38 4 ↓
Mid Mid (pH 6-8) -0.25 0.6 -9.72 1 6 0 62 283.372 4 ↓

Analogs

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Popular Name: 3-[(5-methyl-1-oxo-2,5,9-triazaspiro[5.5]undecan-9-yl)methyl]benzonitrile 3-[(5-methyl-1-oxo-2,5,9-triazas…

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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) 0.93 4.77 -41.35 2 5 1 61 299.398 2 ↓
Mid Mid (pH 6-8) 0.93 2.54 -8.5 1 5 0 59 298.39 2 ↓

Analogs

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Popular Name: 3-[2-(2-thienyl)thiazole-4-carbonyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[2-(2-thienyl)thiazole-4-carbo…

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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) 1.46 2.43 -13.88 2 6 0 74 362.48 2 ↓
Mid Mid (pH 6-8) 1.46 3.59 -52.86 3 6 1 79 363.488 2 ↓

Analogs

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Popular Name: 3-[(3,7-dimethyl-1H-indol-2-yl)methyl]-7-methyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(3,7-dimethyl-1H-indol-2-yl)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) 2.44 5.78 -36.36 3 5 1 53 341.479 2 ↓
Mid Mid (pH 6-8) 2.44 3.56 -7.81 2 5 0 51 340.471 2 ↓

Analogs

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Popular Name: 3-(2-methoxyquinoline-4-carbonyl)-3,7,10-triazaspiro[5.5]undecan-11-one 3-(2-methoxyquinoline-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) 0.75 0.67 -12.21 2 7 0 84 354.41 2 ↓
Mid Mid (pH 6-8) 0.75 1.83 -55.8 3 7 1 88 355.418 2 ↓

Parameters Provided:

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