UCSF

ZINC34369637

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 24 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
Mid Mid (pH 6-8) 3.41 8.8 -42.35 2 5 1 46 334.484 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4988814 IBM Patent Data

Activity (Go SEA)

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