UCSF

ZINC34357982

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.62 4.02 -11.37 3 6 0 82 477.582 7
Mid Mid (pH 6-8) 4.62 6.32 -44.35 4 6 1 84 478.59 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5484798; US5492921 IBM Patent Data

Activity (Go SEA)

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