UCSF

ZINC01238284

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 30 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) 5.73 8.87 -37.48 3 3 1 46 414.654 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5811248; US5955584 IBM Patent Data

Activity (Go SEA)

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