UCSF

ZINC39271929

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 19 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) 4.24 9.09 -5.58 1 3 0 47 264.365 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0376197A1; EP0376197B1; US5071841 IBM Patent Data

Activity (Go SEA)

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