UCSF

ZINC69266540

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: [4-(1,3-dioxolan-2-yl)-1-piperidyl]-(2-hydroxy-5-methyl-phenyl)methanone [4-(1,3-dioxolan-2-yl)-1-piperid…

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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) 2.40 4.1 -12.75 1 5 0 59 291.347 2 ↓
Hi High (pH 8-9.5) 2.40 5.02 -59.24 0 5 -1 62 290.339 2 ↓

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Rings

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

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