UCSF

ZINC00159226

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

CAS Number: 39718-07-5

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) 1.82 5.93 -7.61 0 2 0 48 142.161 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 162-166? Alfa-Aesar
Melting_Point 162-166° Alfa-Aesar

Activity (Go SEA)

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