UCSF

ZINC39565203

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 22 Yes

CAS Number: 40596-69-8

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) 5.36 11.32 -6.31 0 3 0 36 310.478 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0915656A1; WO1997042815A1 IBM Patent Data

Activity (Go SEA)

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