UCSF

ZINC40165680

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 14 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) 1.28 5.62 -8.26 0 3 0 37 209.632 1
Mid Mid (pH 6-8) 2.62 3.76 -10.84 1 3 0 42 209.632 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1997042187A1 IBM Patent Data

Activity (Go SEA)

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