UCSF

ZINC43509329

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 22 Yes

CAS Number: 54-42-2

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) 1.43 0.35 -17.01 3 7 0 105 424.235 2

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 190? dec. Alfa-Aesar
Melting_Point ca 190° dec. Alfa-Aesar

Activity (Go SEA)

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