UCSF

ZINC62532879

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Substance Information

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

Popular Name: (2R)-4-(3-azaspiro[5.5]undecan-3-yl)-2-(isopropylamino)butanoic (2R)-4-(3-azaspiro[5.5]undecan-3…

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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) 1.24 9.79 -80.9 3 4 1 61 297.463 6 ↓
Hi High (pH 8-9.5) 1.24 7.58 -32.43 2 4 0 60 296.455 6 ↓
Mid Mid (pH 6-8) 1.24 8.92 -50.82 2 4 0 57 296.455 6 ↓

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

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