UCSF

ZINC64030373

Substance Information

In ZINC since Heavy atoms Benign functionality
June 10th, 2011 17 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) 3.86 10.27 -33.51 1 1 1 4 226.343 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5489682; US5491233 IBM Patent Data

Activity (Go SEA)

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