UCSF

ZINC01679842

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 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) 3.06 2.01 -3.49 0 1 0 9 148.205 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0166527A2; EP0166527B1; EP0411787A3; EP0906755A2; EP0908186A2; EP0908454A2; EP0971709A1; US5068451; US5376539; US5380654; US5942530; US5952360; US6156748; US6166216; WO1998015274A1; WO1999009829A1; WO1999009979A1; WO1999009980A1; WO1999018091A1 IBM Patent Data

Activity (Go SEA)

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