UCSF

ZINC34519121

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) -2.04 -9.73 -14.02 5 6 0 110 180.156 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0673947A1; EP0673947B1; EP0876812A2; EP0876812A3; WO1994013685A1 IBM Patent Data

Activity (Go SEA)

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