UCSF

ZINC14629102

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) 0.74 3.76 -36.29 2 3 1 29 197.302 1
Mid Mid (pH 6-8) 0.74 3.93 -100.5 3 3 2 30 198.31 1
Mid Mid (pH 6-8) 0.74 2.64 -29.12 2 3 1 26 197.302 1
Mid Mid (pH 6-8) 0.74 2.41 -2.56 1 3 0 24 196.294 1

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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