UCSF

ZINC34234830

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 26 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) 5.22 11.08 -9.15 0 4 0 48 418.679 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4859230 IBM Patent Data

Activity (Go SEA)

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