UCSF

ZINC39032120

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 26 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) 1.17 4.41 -25.31 0 9 0 108 387.41 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0528678A1; US5317016; US5703243 IBM Patent Data

Activity (Go SEA)

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