UCSF

ZINC08214662

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 40 No

CAS Number: 3055-99-0

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) 3.42 9.47 -16.88 1 10 0 103 582.816 37

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP1637127; EP1688135; EP1813295; EP1834627; US2007248658; WO2007125545 ChEBI

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