UCSF

ZINC18211661

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) 0.05 2.06 -11.86 1 4 0 54 181.22 1
Ref Reference (pH 7) 0.05 2.06 -11.89 1 4 0 54 181.22 1
Ref Reference (pH 7) 1.48 2.31 -19.77 2 4 0 62 181.22 1
Hi High (pH 8-9.5) 1.93 0.82 -50.89 1 4 -1 65 180.212 1
Hi High (pH 8-9.5) 1.66 3.64 -4.83 0 2 0 25 136.198 0
Mid Mid (pH 6-8) 1.18 1.95 -17.3 1 4 0 58 181.22 1
Mid Mid (pH 6-8) 1.18 2.53 -13.2 1 4 0 58 181.22 1
Lo Low (pH 4.5-6) 0.22 2.38 -54.11 1 4 1 56 182.228 1
Lo Low (pH 4.5-6) 1.48 2.75 -11.72 2 4 0 62 181.22 1

Vendor Notes

Note Type Comments Provided By
MP 296-298°(dec) Matrix Scientific
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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