UCSF

ZINC33770196

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 22 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) -3.34 -11.75 -22.66 7 10 0 169 326.298 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0065123A1; EP0950116A1; US4617293; US6143443; WO1988008256A1; WO1996035239A1; WO1998002585A1 IBM Patent Data

Activity (Go SEA)

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