UCSF

ZINC34349432

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 15 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) 2.69 5.8 -5.86 0 2 0 26 218.174 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0469887A1; EP0469887B1; US5270342; US5430060 IBM Patent Data

Activity (Go SEA)

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