UCSF

ZINC01573299

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 Yes

Popular Name: ISOFRAXIDIN ISOFRAXIDIN

Find On: PubMed — Wikipedia — Google

CAS Numbers: 486-21-5 , [486-21-5]

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) 1.54 3.46 -14.95 1 5 0 69 222.196 2 ↓

Vendor Notes

Note Type Comments Provided By
SOLUBILITY Hygroscopic Indofine
M.P ~205 C Indofine
MP ~205o C Indofine

Activity (Go SEA)

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

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