UCSF

ZINC62952681

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: [4-(8-azaspiro[4.5]decan-8-yl)-1-methyl-4-piperidyl]methanamine [4-(8-azaspiro[4.5]decan-8-yl)-1…

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Download: MOL2 SDF SMILES Flexibase

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 4.46 -28.35 3 3 1 34 266.453 2 ↓
Hi High (pH 8-9.5) 1.52 4.76 -35.72 3 3 1 34 266.453 2 ↓
Mid Mid (pH 6-8) 1.52 5.48 -106.13 4 3 2 35 267.461 2 ↓
Mid Mid (pH 6-8) 1.52 4.92 -123.88 4 3 2 35 267.461 2 ↓
Mid Mid (pH 6-8) 1.52 6.87 -97.16 4 3 2 35 267.461 2 ↓
Lo Low (pH 4.5-6) 1.52 7.31 -221.15 5 3 3 37 268.469 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.