UCSF

ZINC05197306

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 13 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) 1.91 0.45 -45.33 1 4 -1 72 180.183 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

Activity (Go SEA)

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