UCSF

ZINC39199207

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2010 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) 2.89 4.71 -10.17 0 2 0 22 183.21 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1995026347A1; WO1996011196A1; WO1996026207A1 IBM Patent Data
PUBCHEM_PATENT_ID WO1995026347A1; WO1996011196A1; WO1996026207A1; WO1999065881A1 IBM Patent Data
PUBCHEM_PATENT_ID WO1996011196A1; WO1996026207A1 IBM Patent Data
PUBCHEM_PATENT_ID WO1996011196A1; WO1996026207A1; WO1999065881A1 IBM Patent Data

Activity (Go SEA)

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