UCSF

ZINC05820109

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 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) 1.51 -3.23 -8.17 2 3 0 49 173.256 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0421441A2; EP0421441B1; EP0853107A1; US5120738; US5693129 IBM Patent Data

Activity (Go SEA)

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