UCSF

ZINC02546329

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 8 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) 3.01 6.2 0.03 0 0 0 0 112.216 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0862558A1; EP0931072A1; EP1003741A1; US6054412; US6054413; WO1993007128A1; WO1997015559A1; WO1998012182A1; WO1999007702A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.