UCSF

ZINC00577361

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 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) 2.57 -4.17 -9.55 1 3 0 46 235.308 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5385925; US5587393; US5684029 IBM Patent Data

Activity (Go SEA)

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