UCSF

ZINC39339104

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 21 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) 0.77 9.94 -68.33 0 4 -1 62 286.282 1
Mid Mid (pH 6-8) 0.77 7.92 -15.06 1 4 0 59 287.29 1
Mid Mid (pH 6-8) -1.67 8.07 -36.31 1 4 0 64 287.29 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4317820 IBM Patent Data

Activity (Go SEA)

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