UCSF

ZINC01532816

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) -1.64 -9.26 -8.22 4 5 0 90 164.157 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 135-141? Alfa-Aesar
Melting_Point 135-141° Alfa-Aesar
MP 137 TCI
Mp [°C] 144 - 145 Acros Organics
ALOGPS_SOLUBILITY 8.27e+02 g/l DrugBank-experimental
UniProt Database Links ARAF_ECOLI; CHVE_AGRT5; COL12_BOVIN; COL12_HUMAN; COL12_MOUSE; COL12_RAT; FCN3_HUMAN; GALE_ECOLI; GALS_ECOLI; GALS_SALTY; GBPR_RHIRD; GLCDH_HALMT; LECG_BOTAT; SBPA_AZOBR; TREP_THEBR ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

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