UCSF

ZINC32911314

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) 1.51 2.85 -8.67 1 3 0 38 182.61 1
Lo Low (pH 4.5-6) 1.51 3.25 -29.82 2 3 1 39 183.618 1

Vendor Notes

Note Type Comments Provided By
melting_point 126 - 128 KeyOrganics
MP 126-128° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5270322 IBM Patent Data

Activity (Go SEA)

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