UCSF

ZINC39408227

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 12 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) 0.42 4.04 -7.54 0 3 0 43 162.192 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0915879A1; WO1998001449A1 IBM Patent Data

Activity (Go SEA)

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