UCSF

ZINC69774826

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 20 Yes

Popular Name: (2S)-2-(benzofuran-2-yl)-3-methyl-1,3-diazaspiro[4.4]nonan-4-one (2S)-2-(benzofuran-2-yl)-3-methy…

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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) 2.91 5.42 -11.65 1 4 0 45 270.332 1 ↓
Mid Mid (pH 6-8) 2.91 6.65 -45.31 2 4 1 50 271.34 1 ↓

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

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