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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecane 7,11-dimethyl-3,7,11-triazaspiro…

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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) 0.40 2.09 -30.68 2 3 1 20 198.334 0 ↓
Mid Mid (pH 6-8) 0.40 2.14 -38.67 2 3 1 23 198.334 0 ↓
Mid Mid (pH 6-8) 0.40 3.99 -98.59 3 3 2 24 199.342 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl 7-methyl-3,7,11-triazaspiro[5.6]dodecane-3-carboxylate tert-butyl 7-methyl-3,7,11-triaz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 4.5 -35.43 2 5 1 46 284.424 2 ↓
Lo Low (pH 4.5-6) 1.43 5.99 -120.18 3 5 2 51 285.432 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(5-ethoxy-2-furyl)methanone (3,7-dimethyl-3,7,11-triazaspiro…

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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) 1.84 6.46 -37.54 1 6 1 50 336.456 3 ↓
Mid Mid (pH 6-8) 1.84 6.58 -45.07 1 6 1 50 336.456 3 ↓
Lo Low (pH 4.5-6) 1.84 8.84 -107.3 2 6 2 52 337.464 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(1-methylbenzotriazol-5-yl)methanone (3,7-dimethyl-3,7,11-triazaspiro…

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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) 0.95 5.36 -65.25 1 7 1 59 357.482 1 ↓
Lo Low (pH 4.5-6) 0.95 7.64 -111.61 2 7 2 60 358.49 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,7-dimethyl-11-[[4-(2-methylallyloxy)phenyl]methyl]-3,7,11-triazaspiro[5.6]dodecane 3,7-dimethyl-11-[[4-(2-methylall…

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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 11.35 -105.49 2 4 2 21 359.558 5 ↓
Hi High (pH 8-9.5) 3.64 8.92 -35.86 1 4 1 20 358.55 5 ↓
Hi High (pH 8-9.5) 3.64 9.62 -39.52 1 4 1 20 358.55 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]ethanone 1-(3,7-dimethyl-3,7,11-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) 0.68 5.76 -49.56 1 6 1 46 340.488 4 ↓
Lo Low (pH 4.5-6) 0.68 8.01 -109.38 2 6 2 48 341.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]ethanone 1-(3,7-dimethyl-3,7,11-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) 0.68 5.69 -50.4 1 6 1 46 340.488 4 ↓
Lo Low (pH 4.5-6) 0.68 7.95 -108.86 2 6 2 48 341.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]phenoxy]acetamide 2-[3-[(3,7-dimethyl-3,7,11-triaz…

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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) 1.16 6.63 -106.08 4 6 2 64 362.518 5 ↓
Hi High (pH 8-9.5) 1.16 5.76 -40.42 3 6 1 63 361.51 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(diethylamino)phenyl]-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone [4-(diethylamino)phenyl]-(3,7-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) 2.41 9.24 -52.92 1 5 1 31 373.565 4 ↓
Mid Mid (pH 6-8) 2.41 9.35 -85.9 2 5 0 32 374.573 4 ↓
Lo Low (pH 4.5-6) 2.41 11.61 -88.27 3 5 0 34 375.581 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-thiazol-5-yl-methanone (3,7-dimethyl-3,7,11-triazaspiro…

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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 4.01 -49.24 1 5 1 41 309.459 1 ↓
Lo Low (pH 4.5-6) 1.20 6.26 -113.62 2 5 2 42 310.467 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1H-benzimidazol-2-yl)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone 2-(1H-benzimidazol-2-yl)-1-(3,7-…

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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) 1.72 6.71 -53.62 2 6 1 57 356.494 2 ↓
Lo Low (pH 4.5-6) 1.72 9.18 -167.78 4 6 3 59 358.51 2 ↓
Lo Low (pH 4.5-6) 1.72 8.96 -113.12 3 6 2 58 357.502 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxo-ethyl]urea [2-(3,7-dimethyl-3,7,11-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) -0.62 -0.21 -47.22 4 7 1 83 298.411 2 ↓
Lo Low (pH 4.5-6) -0.62 2.04 -108.63 5 7 2 84 299.419 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxy-ethanone 1-(3,7-dimethyl-3,7,11-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) 0.30 4.34 -47 1 5 1 37 270.397 2 ↓
Lo Low (pH 4.5-6) 0.30 6.59 -106.75 2 5 2 38 271.405 2 ↓

Analogs

36236799
36236799

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(1H-indol-3-yl)ethanone 1-(3,7-dimethyl-3,7,11-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) 2.27 8 -46.82 2 5 1 44 355.506 2 ↓
Lo Low (pH 4.5-6) 2.27 10.25 -109.42 3 5 2 45 356.514 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)metha (2,7-dimethylpyrazolo[1,5-a]pyri…

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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) 1.56 8.31 -46.28 1 7 1 58 371.509 1 ↓
Lo Low (pH 4.5-6) 1.56 10.56 -108.24 2 7 2 59 372.517 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-3-(3-methoxyphenyl)propan-1-one 1-(3,7-dimethyl-3,7,11-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) 2.67 8.04 -45.25 1 5 1 37 360.522 4 ↓
Lo Low (pH 4.5-6) 2.67 10.29 -105.34 2 5 2 38 361.53 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone (3,7-dimethyl-3,7,11-triazaspiro…

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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 8.6 -56.22 1 7 1 58 357.482 1 ↓
Lo Low (pH 4.5-6) 0.93 10.89 -119.84 2 7 2 59 358.49 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 11-[(5-methoxy-2-pyrazol-1-yl-phenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane 11-[(5-methoxy-2-pyrazol-1-yl-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) 2.31 9.98 -92.94 2 6 2 39 385.556 4 ↓
Mid Mid (pH 6-8) 2.31 9.68 -35.19 1 6 1 38 384.548 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-[(4S,6R)-6-methyl-2-thioxo-hexahydropyrimidin-4- (3,7-dimethyl-3,7,11-triazaspiro…

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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) 0.74 4.69 -60.53 3 6 1 52 354.544 1 ↓
Lo Low (pH 4.5-6) 0.74 6.97 -127.17 4 6 2 53 355.552 1 ↓

Analogs

36236672
36236672

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-benzimidazol-5-yl-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone 1H-benzimidazol-5-yl-(3,7-dimeth…

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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) 1.02 6.59 -49.67 2 6 1 57 342.467 1 ↓
Lo Low (pH 4.5-6) 1.02 7.08 -108.75 3 6 2 58 343.475 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-3-oxo-N-(p-tolyl)propanamide 3-(3,7-dimethyl-3,7,11-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) 1.84 8.24 -54.06 2 6 1 57 373.521 3 ↓
Lo Low (pH 4.5-6) 1.84 10.52 -115.2 3 6 2 58 374.529 3 ↓

Analogs

36236701
36236701

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)chromen-2-one 3-(3,7-dimethyl-3,7,11-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) 1.56 8.46 -62.01 1 6 1 58 370.473 1 ↓
Lo Low (pH 4.5-6) 1.56 10.7 -116.04 2 6 2 59 371.481 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-[2-(ethylamino)pyrimidin-5-yl]methanone (3,7-dimethyl-3,7,11-triazaspiro…

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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 6.18 -51.47 2 7 1 66 347.487 3 ↓
Lo Low (pH 4.5-6) 0.42 8.44 -112.48 3 7 2 67 348.495 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-[2-(1H-imidazol-2-yl)phenyl]methanone (3,7-dimethyl-3,7,11-triazaspiro…

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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) 1.61 8.09 -49.63 2 6 1 57 368.505 2 ↓
Mid Mid (pH 6-8) 1.61 7.89 -76.81 3 6 2 58 369.513 2 ↓
Lo Low (pH 4.5-6) 1.61 10.31 -168.77 4 6 3 59 370.521 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone (3,7-dimethyl-3,7,11-triazaspiro…

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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) 1.61 6.92 -54.68 2 6 1 57 368.505 2 ↓
Lo Low (pH 4.5-6) 1.61 9.23 -112.63 3 6 2 58 369.513 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-phenylphenyl)methanone (3,7-dimethyl-3,7,11-triazaspiro…

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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) 3.30 10.27 -46.55 1 4 1 28 378.54 2 ↓
Lo Low (pH 4.5-6) 3.30 12.54 -110.77 2 4 2 29 379.548 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 11-[(2,3-dichloro-4-methyl-phenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane 11-[(2,3-dichloro-4-methyl-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) 4.05 10.69 -94.55 2 3 2 12 372.384 2 ↓
Mid Mid (pH 6-8) 4.05 9.51 -33.35 1 3 1 11 371.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 11-(1H-indol-2-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane 11-(1H-indol-2-ylmethyl)-3,7-dim…

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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) 2.86 8.37 -40.58 2 4 1 27 327.496 2 ↓
Mid Mid (pH 6-8) 2.86 9.78 -107.28 3 4 2 28 328.504 2 ↓
Lo Low (pH 4.5-6) 2.86 9.49 -101.49 3 4 2 28 328.504 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,7-dimethyl-11-[(6-methyl-2-pyridyl)methyl]-3,7,11-triazaspiro[5.6]dodecane 3,7-dimethyl-11-[(6-methyl-2-pyr…

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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 9.01 -100.56 2 4 2 25 304.482 2 ↓
Mid Mid (pH 6-8) 1.28 7.27 -39.96 1 4 1 24 303.474 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-[(4S,6R)-6-methyl-2-thioxo-hexahydropyrimidi 1-(3,7-dimethyl-3,7,11-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) 2.23 5.74 -54.15 3 6 1 52 368.571 2 ↓
Lo Low (pH 4.5-6) 2.23 8 -120.47 4 6 2 53 369.579 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 11-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane 11-[(2-ethyl-1,2,4-triazol-3-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) 0.40 7.32 -47.33 1 6 1 42 307.466 3 ↓
Lo Low (pH 4.5-6) 0.40 8.56 -110.21 2 6 2 43 308.474 3 ↓

Analogs

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Popular Name: (4R)-1-allyl-4-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)pyrrolidin-2-one (4R)-1-allyl-4-(3,7-dimethyl-3,7…

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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) 0.81 6.35 -54.21 1 6 1 48 349.499 3 ↓
Lo Low (pH 4.5-6) 0.81 8.6 -122.05 2 6 2 49 350.507 3 ↓

Analogs

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Popular Name: (4S)-1-allyl-4-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)pyrrolidin-2-one (4S)-1-allyl-4-(3,7-dimethyl-3,7…

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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) 0.81 6.35 -53.82 1 6 1 48 349.499 3 ↓
Lo Low (pH 4.5-6) 0.81 8.6 -124.32 2 6 2 49 350.507 3 ↓

Analogs

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Popular Name: (2S)-2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(o-tolyl)ethanone (2S)-2-(dimethylamino)-1-(3,7-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) 2.33 6.37 -42.98 1 5 1 31 373.565 3 ↓
Lo Low (pH 4.5-6) 2.33 11.25 -182.57 3 5 3 34 375.581 3 ↓
Lo Low (pH 4.5-6) 2.33 8.92 -84.63 2 5 2 32 374.573 3 ↓

Analogs

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Popular Name: (2R)-2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(o-tolyl)ethanone (2R)-2-(dimethylamino)-1-(3,7-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) 2.33 7.1 -43.11 1 5 1 31 373.565 3 ↓
Lo Low (pH 4.5-6) 2.33 11.36 -180.58 3 5 3 34 375.581 3 ↓
Lo Low (pH 4.5-6) 2.33 9.14 -91.78 2 5 2 32 374.573 3 ↓

Analogs

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Popular Name: 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-3-(2-ethylimidazol-1-yl)propan-1-one 1-(3,7-dimethyl-3,7,11-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) 0.93 8.27 -77.65 2 6 2 47 349.523 4 ↓
Mid Mid (pH 6-8) 0.93 7.91 -47.05 1 6 1 46 348.515 4 ↓
Lo Low (pH 4.5-6) 0.93 10.52 -158.11 3 6 3 48 350.531 4 ↓

Analogs

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Popular Name: 11-[(E)-3-(2-methoxyphenyl)allyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane 11-[(E)-3-(2-methoxyphenyl)allyl…

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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) 3.17 9.23 -38.76 1 4 1 20 344.523 4 ↓
Mid Mid (pH 6-8) 3.17 10.65 -103.47 2 4 2 21 345.531 4 ↓

Analogs

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Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(1-methylindol-2-yl)methanone (3,7-dimethyl-3,7,11-triazaspiro…

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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 8.32 -46.74 1 5 1 33 355.506 1 ↓
Lo Low (pH 4.5-6) 2.56 10.59 -111.1 2 5 2 34 356.514 1 ↓

Analogs

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Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-pyrazin-2-yl-methanone (3,7-dimethyl-3,7,11-triazaspiro…

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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) 0.56 4.45 -45.49 1 6 1 54 304.418 1 ↓
Lo Low (pH 4.5-6) 0.56 6.69 -105.21 2 6 2 55 305.426 1 ↓

Analogs

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Popular Name: 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)ethanone 1-(3,7-dimethyl-3,7,11-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) 1.68 7.68 -48.81 1 6 1 46 362.542 3 ↓
Lo Low (pH 4.5-6) 1.68 9.96 -113.76 2 6 2 47 363.55 3 ↓

Analogs

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Popular Name: 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-5-phenyl-pentane-1,5-dione 1-(3,7-dimethyl-3,7,11-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) 2.51 9.35 -52.92 1 5 1 45 372.533 5 ↓
Lo Low (pH 4.5-6) 2.51 11.59 -114.1 2 5 2 46 373.541 5 ↓

Analogs

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Popular Name: 2,1-benzoxazol-3-yl-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone 2,1-benzoxazol-3-yl-(3,7-dimethy…

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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) 2.06 6.5 -46.96 1 6 1 54 343.451 1 ↓
Lo Low (pH 4.5-6) 2.06 8.75 -108.96 2 6 2 55 344.459 1 ↓

Analogs

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Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone (3,7-dimethyl-3,7,11-triazaspiro…

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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 6.7 -48.17 2 5 1 44 347.508 1 ↓
Lo Low (pH 4.5-6) 2.25 8.94 -113.21 3 5 2 45 348.516 1 ↓

Analogs

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Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(5-phenylisoxazol-3-yl)methanone (3,7-dimethyl-3,7,11-triazaspiro…

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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) 2.67 8.22 -45.18 1 6 1 54 369.489 2 ↓
Lo Low (pH 4.5-6) 2.67 10.46 -105.6 2 6 2 55 370.497 2 ↓

Analogs

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Popular Name: 11-[(3-allyl-4-allyloxy-phenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane 11-[(3-allyl-4-allyloxy-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) 3.85 12.08 -107.24 2 4 2 21 385.596 7 ↓
Hi High (pH 8-9.5) 3.85 11.21 -39.35 1 4 1 20 384.588 7 ↓
Hi High (pH 8-9.5) 3.85 9.72 -36.58 1 4 1 20 384.588 7 ↓

Analogs

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Popular Name: 11-(1H-imidazol-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane 11-(1H-imidazol-4-ylmethyl)-3,7-…

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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) 0.62 6.39 -39.24 2 5 1 40 278.424 2 ↓
Mid Mid (pH 6-8) 0.62 6.9 -84.48 3 5 2 41 279.432 2 ↓
Lo Low (pH 4.5-6) 0.62 8.01 -161.71 4 5 3 42 280.44 2 ↓

Analogs

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Popular Name: (2-amino-4-ethyl-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone (2-amino-4-ethyl-thiazol-5-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) 1.60 4.31 -48.14 3 6 1 67 352.528 2 ↓
Lo Low (pH 4.5-6) 1.60 6.59 -112.02 4 6 2 68 353.536 2 ↓

Analogs

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Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone 2-(3,4-dihydro-1H-isoquinolin-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) 1.74 9.64 -90.27 2 5 2 32 372.557 2 ↓
Lo Low (pH 4.5-6) 1.74 11.89 -180.24 3 5 3 34 373.565 2 ↓

Analogs

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Popular Name: 4-chloro-2-[(E)-3-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methyl-prop-1-enyl]phenol 4-chloro-2-[(E)-3-(3,7-dimethyl-…

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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) 4.31 7.59 -38.14 2 4 1 31 378.968 3 ↓
Lo Low (pH 4.5-6) 4.31 9.25 -104.03 3 4 2 32 379.976 3 ↓

Analogs

36236888
36236888

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Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(1H-indazol-3-yl)methanone (3,7-dimethyl-3,7,11-triazaspiro…

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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) 1.96 6.29 -46.09 2 6 1 57 342.467 1 ↓
Lo Low (pH 4.5-6) 1.96 8.52 -104.43 3 6 2 58 343.475 1 ↓

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filter.purchasability = annotated
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