UCSF

ZINC34419732

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 35 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) 8.32 14.83 -9.82 0 4 0 37 468.593 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5043094 IBM Patent Data

Activity (Go SEA)

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