UCSF

ZINC08214484

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) -2.37 -17.29 -13.27 7 12 0 202 457.432 7

Vendor Notes

Note Type Comments Provided By
Mp [°C] 223 - 226 Acros Organics
UniProt Database Links AH1_PRUSE; AH2_PRUSE; AH3_PRUSE; AH4_PRUSE ChEBI
Therapy antiinflammatory, experimatal antineoplastic SMDC MicroSource
therap antiinflammatory, experimental antineoplastic MicroSource Spectrum
PUBCHEM_PATENT_ID EP0023178A1; EP0072010A2; EP0154549A2; EP0199105A1; EP0276132A2; EP0276132B1; EP0281467A1; EP0281467B1; EP0348560A1; EP0351370A1; EP0351370B1; EP0365173A1; EP0369198A2; EP0369198B1; EP0385415A1; EP0385415B1; EP0416502A1; EP0416502B1; EP0422187B1; EP044606 IBM Patent Data
H phrase H302: Harmful if swallowed Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
Reactome Database Links REACT_15538; REACT_163726; REACT_22239; REACT_22289 ChEBI
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Class C/3 (Metabotropic glutamate/pheromone receptors)
G alpha (i) signalling events

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