UCSF

ZINC34604608

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 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) 1.46 2.38 -10.47 1 3 0 46 211.286 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0860428A2; EP0860428A3; EP0976744A1; EP0980864A2; WO2000006157A1; WO2000006537A1; WO2000006539A1; WO2000066546A2 IBM Patent Data

Activity (Go SEA)

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