UCSF

ZINC67947969

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 23 Yes

Popular Name: 1-[(5R)-3-[(2-chloro-6-fluoro-3-methyl-phenyl)methyl]-3,7-diazaspiro[4.5]decan-7-yl]ethanone 1-[(5R)-3-[(2-chloro-6-fluoro-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) 2.88 10 -32.48 1 3 1 25 339.862 2 ↓
Hi High (pH 8-9.5) 2.88 7.55 -9.65 0 3 0 24 338.854 2 ↓

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

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