UCSF

ZINC34551807

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) 4.27 11.28 -35.99 1 2 1 14 294.418 4
Hi High (pH 8-9.5) 4.27 9.42 -4.54 0 2 0 12 293.41 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0864559A1; US6022895 IBM Patent Data

Activity (Go SEA)

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