UCSF

ZINC36466060

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 8 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) 0.61 0.53 -5.16 0 2 0 25 114.144 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0536318B1 IBM Patent Data
PUBCHEM_PATENT_ID EP1013687A1; US5597873; WO1995027739A1; WO1998039376A1 IBM Patent Data
PUBCHEM_PATENT_ID US5173481; WO1992000331A1 IBM Patent Data

Activity (Go SEA)

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