UCSF

ZINC62532882

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 21 Yes

Popular Name: (2S)-4-(9-azaspiro[5.5]undecan-9-yl)-2-(cyclopropylamino)butanoic (2S)-4-(9-azaspiro[5.5]undecan-9…

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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) 0.93 9.93 -80.58 3 4 1 61 295.447 6 ↓
Hi High (pH 8-9.5) 0.93 7.77 -32.64 2 4 0 60 294.439 6 ↓
Mid Mid (pH 6-8) 0.93 9.05 -49.11 2 4 0 57 294.439 6 ↓

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

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