UCSF

ZINC02037494

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 8 Yes

CAS Number: 4938-52-7

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) 2.25 -0.13 -1.62 1 1 0 20 114.188 4

Vendor Notes

Note Type Comments Provided By
Boiling_Point 154-156? Alfa-Aesar
Boiling_Point 154-156° Alfa-Aesar

Activity (Go SEA)

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