UCSF

ZINC34341130

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 30 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) 4.64 11.4 -15.22 2 8 0 118 403.394 4

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% )