UCSF

ZINC08730041

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) 2.15 -3.41 -7.22 2 3 0 51 256.128 1
Lo Low (pH 4.5-6) 2.15 -3.26 -27.35 3 3 1 53 257.136 1
Lo Low (pH 4.5-6) 2.15 -3.27 -32.68 3 3 1 53 257.136 1
Lo Low (pH 4.5-6) 2.15 -3.12 -87.08 4 3 2 54 258.144 1

Vendor Notes

Note Type Comments Provided By
melting_point 245 - 246 KeyOrganics
MP 245-246° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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