UCSF

ZINC64540376

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 44 No

Popular Name: (7-ethoxy-7-oxo-heptyl) (7-ethoxy-7-oxo-heptyl)

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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) 6.40 16.67 -17.31 4 11 0 151 604.752 18 ↓
Lo Low (pH 4.5-6) 6.40 15.8 -38.59 5 11 1 152 605.76 18 ↓

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

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