UCSF

ZINC05502839

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 14 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) -0.23 3.44 -16.09 1 6 0 73 195.178 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4772721 IBM Patent Data

Activity (Go SEA)

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