UCSF

ZINC15923780

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) 1.21 5.22 -5.18 3 4 0 62 219.288 2
Lo Low (pH 4.5-6) 1.21 4.22 -31.12 4 4 1 63 220.296 2
Lo Low (pH 4.5-6) 1.21 4.15 -27.18 4 4 1 63 220.296 2
Lo Low (pH 4.5-6) 1.21 4.05 -30.58 4 4 1 63 220.296 2
Lo Low (pH 4.5-6) 1.21 4.11 -31.09 4 4 1 63 220.296 2

Vendor Notes

Note Type Comments Provided By
melting_point 215 - 217 KeyOrganics
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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