UCSF

ZINC02243965

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 10 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) 0.90 2.67 -7.98 2 3 0 52 151.194 0
Lo Low (pH 4.5-6) 0.90 -0.71 -30.47 3 3 1 53 152.202 0
Lo Low (pH 4.5-6) 0.90 2.96 -28.32 3 3 1 53 152.202 0

Vendor Notes

Note Type Comments Provided By
melting_point 234 - 236 (dec) KeyOrganics
MP 234-236° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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