UCSF

ZINC08579632

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2007 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) -1.98 -9.02 -9.04 4 5 0 90 164.157 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0504924A2; EP0648223A1; EP0914162A2; US5474986; US5591835; US5728685; WO1993014775A1; WO1995021180A1; WO1997049431A2 IBM Patent Data

Activity (Go SEA)

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