UCSF

ZINC12359342

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 13 Yes

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) 1.62 -3.77 -7.79 2 3 0 60 272.07 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 125-126? Alfa-Aesar
MP 125-126° Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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