UCSF

ZINC39378847

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 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) 2.31 5.17 -4.77 0 1 0 13 148.205 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0540009A1; EP0540009B1; US5367087; US5466838 IBM Patent Data

Activity (Go SEA)

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