UCSF

ZINC01669235

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 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) 1.73 -0.43 -44.21 1 3 -1 60 193.222 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0380924A1; EP0494203B1; EP0941231A1; US6153758; WO1998011054A1; WO1998022484A1 IBM Patent Data

Activity (Go SEA)

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