UCSF

ZINC00899370

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 22 Yes

Popular Name: Homoeriodictyol Homoeriodictyol

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CAS Number: 446-71-9

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) 1.94 0.84 -12.18 3 6 0 96 302.282 2 ↓
Hi High (pH 8-9.5) 1.94 1.84 -52.23 2 6 -1 99 301.274 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 223-225o C Indofine
M.P. 225 C (dec) Indofine
M.P. 225-227 C (dec) Indofine
MP 225-227o C Indofine
SOLUBILITY Merck Index 12, 4773 Indofine

Activity (Go SEA)

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