UCSF

ZINC04262103

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) -2.03 -10.19 -6.45 4 6 0 99 194.183 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 106-111? Alfa-Aesar
Melting_Point 106-111° Alfa-Aesar
MP 111 TCI
Mp [°C] 111 - 113 Acros Organics
ALOGPS_SOLUBILITY 8.62e+02 g/l DrugBank-experimental
UniProt Database Links PTG3C_STACT; PTU3C_STACT ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID US4049797 IBM Patent Data

Activity (Go SEA)

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