UCSF

ZINC00057913

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

CAS Number: 20280-81-3

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) 2.00 5.39 -10.49 0 3 0 39 176.171 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 122-125? Alfa-Aesar
Melting_Point 122-125° Alfa-Aesar
M.P 124-125C Indofine
MP 125.5-127o C Indofine
SOLUBILITY Soluble in Chloroform Indofine

Activity (Go SEA)

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