UCSF

ZINC02599214

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 13 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) 1.48 4.78 -29.52 4 2 1 52 171.223 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5532267; WO2000012479A1 IBM Patent Data

Activity (Go SEA)

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