UCSF

ZINC62952295

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: [(1S,2S)-2-(8-azaspiro[4.5]decan-8-yl)cyclopentyl]methanamine [(1S,2S)-2-(8-azaspiro[4.5]decan…

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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) 2.30 7.05 -112.2 4 2 2 32 238.419 2 ↓
Hi High (pH 8-9.5) 2.30 5.74 -41.61 3 2 1 31 237.411 2 ↓
Hi High (pH 8-9.5) 2.30 6.66 -31.75 3 2 1 30 237.411 2 ↓

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

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