UCSF

ZINC34361250

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 25 No

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) 0.60 7.71 -17.83 0 9 0 108 373.383 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5132301; US5364848 IBM Patent Data

Activity (Go SEA)

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