UCSF

ZINC62956618

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)butanoic (2S)-4-(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) 0.43 9.65 -82.42 3 4 1 61 281.42 6 ↓
Hi High (pH 8-9.5) 0.43 7.41 -33.73 2 4 0 60 280.412 6 ↓
Mid Mid (pH 6-8) 0.43 8.67 -48.91 2 4 0 57 280.412 6 ↓

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

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