UCSF

ZINC62959994

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 Yes

Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)morpholine (2R)-2-(8-azaspiro[4.5]decan-8-y…

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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) 1.50 4.85 -33.36 2 3 1 26 239.383 2 ↓
Hi High (pH 8-9.5) 1.50 2.58 -2.46 1 3 0 24 238.375 2 ↓
Mid Mid (pH 6-8) 1.50 3.95 -40.04 2 3 1 29 239.383 2 ↓
Lo Low (pH 4.5-6) 1.50 6.22 -101.34 3 3 2 30 240.391 2 ↓

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Rings

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

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