UCSF

ZINC39646422

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 11 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) 1.72 5.71 -2.77 0 2 0 34 156.225 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0630424A1; EP0630424B1; US4983208; US5431958 IBM Patent Data

Activity (Go SEA)

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