UCSF

ZINC38656308

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 20 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) 8.49 14.19 -4.62 0 1 0 17 282.512 16

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0350315A1; EP0350315B1; US5352689; US5391564 IBM Patent Data

Activity (Go SEA)

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