UCSF

ZINC39322716

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 14 No

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Annotations

Vendors

    None

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) 0.22 3.54 -52.19 1 4 -1 77 197.21 5
Lo Low (pH 4.5-6) 0.22 1.56 -12.49 2 4 0 75 198.218 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3932479; US3950406; US3966773; US4007210; US4060540; US4061672; US4110368; US4123456; US4179574; US4343949; US4439365; USRE29469 IBM Patent Data

Activity (Go SEA)

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