UCSF

ZINC01526897

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2004 16 No

Other Names:

MFCD06824413

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) 2.84 5.51 -6.9 0 2 0 30 225.169 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0666855A1; EP0666855B1; US5589484; WO1994010164A1 IBM Patent Data

Activity (Go SEA)

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