UCSF

ZINC33753353

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 32 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) 3.84 8.42 -47.95 2 9 1 126 437.455 6
Mid Mid (pH 6-8) 4.29 6.59 -41.24 1 9 0 129 436.447 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4665075 IBM Patent Data

Activity (Go SEA)

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