UCSF

ZINC38218916

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 17 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) 2.36 5.83 -11.41 0 4 0 56 231.251 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0450097A1; EP0450097B1; US5559230; US5753677; US5985869; WO1991005549A1; WO1994001113A1 IBM Patent Data

Activity (Go SEA)

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