UCSF

ZINC62532860

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 20 Yes

Popular Name: (2R)-4-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)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) 0.94 9.27 -81.47 3 4 1 61 283.436 6 ↓
Mid Mid (pH 6-8) 0.94 8.25 -50.15 2 4 0 57 282.428 6 ↓

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

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