UCSF

ZINC69894472

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 21 Yes

Popular Name: (2S)-2-(3-ethoxy-2-hydroxy-phenyl)-3-methyl-1,3-diazaspiro[4.4]nonan-4-one (2S)-2-(3-ethoxy-2-hydroxy-pheny…

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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) 2.27 3.23 -9.8 2 5 0 62 290.363 3 ↓
Lo Low (pH 4.5-6) 2.27 4.26 -43.59 3 5 1 66 291.371 3 ↓

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

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