UCSF

ZINC39261818

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 15 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) 3.89 3.17 -4.25 2 2 0 40 206.285 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0904774A1; US6132740; WO1999015148A1 IBM Patent Data

Activity (Go SEA)

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