UCSF

ZINC38466134

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2010 28 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) 5.39 11.23 -10.6 2 5 0 73 392.842 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0751129A1; EP0751129B1; US5753646 IBM Patent Data

Activity (Go SEA)

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