UCSF

ZINC05372765

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 17 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) -1.16 -11.41 -14.25 4 8 0 119 246.219 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0552516A1; EP0552516B1; EP1047705A2; US4017606; US5412088; US6054568; WO1998039353A1; WO1999036429A2; WO2000014217A2 IBM Patent Data

Activity (Go SEA)

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