UCSF

ZINC37932984

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 13 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) 2.31 7.88 -45.08 1 3 0 45 187.283 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0450097A1; EP0450097B1; EP0612319A1; US5498609; US5559230; US5677299; US5753677; US5985869; US6096735; WO1991005549A1; WO1994004525A1; WO1999048858A2 IBM Patent Data

Activity (Go SEA)

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