UCSF

ZINC35569407

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) -0.45 1 -37.3 3 5 1 79 142.138 2
Hi High (pH 8-9.5) -0.45 0.86 -11.58 2 5 0 77 141.13 2
Mid Mid (pH 6-8) 0.00 0.35 -6.15 3 5 0 81 141.13 2
Mid Mid (pH 6-8) 0.00 0.35 -8.53 3 5 0 81 141.13 2

Vendor Notes

Note Type Comments Provided By
melting_point 135 - 136 KeyOrganics
MP 135-136° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.