UCSF

ZINC39309216

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 16 No

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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) 0.75 4.94 -55.55 1 4 -1 77 223.248 6
Lo Low (pH 4.5-6) 0.75 2.96 -14.85 2 4 0 75 224.256 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3952033; US4021452; US4039574; US4080458; US4087621; US4170597; US4172839; US4178456; US4197245; US4197407; US4202822; US4202988; US4209639; US4210651; US4212969; US4235797; US4243817; US4245121; US4254036; US4254285; US4297516; US4309441 IBM Patent Data

Activity (Go SEA)

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