UCSF

ZINC05887320

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 23 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) 4.70 2.41 -12.07 0 3 0 35 300.313 0

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP0928794; EP1260498; WO2005092995 ChEBI
PUBCHEM_PATENT_ID US5121029 IBM Patent Data

Activity (Go SEA)

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