UCSF

ZINC00389534

Annotations

Vendors

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) 0.13 3.19 -42.62 1 3 -1 52 150.157 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 117-119? Alfa-Aesar
Melting_Point 117-119° Alfa-Aesar
Mp [°C] 121 - 127 Acros Organics
MP 126 - 127 Enamine Building Blocks
MP 126...127 Enamine Building Blocks
MP 302 °C (dec.)(lit.) Indofine
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
UniProt Database Links AQP_ENCCU; AQP_ENCHE; AQP_ENCIN; AQP_ENTBH; AQP_NOSCE; OPTN_HUMAN ChEBI
PUBCHEM_PATENT_ID EP0581181A1; EP0581181B1; US5464508 IBM Patent Data
Warnings IRRITANT Matrix Scientific
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.