UCSF

ZINC34234765

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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
Hi High (pH 8-9.5) 3.33 8.79 -8.47 1 5 0 54 353.466 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4845099 IBM Patent Data

Activity (Go SEA)

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