UCSF

ZINC39247601

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 20 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) 2.32 7.57 -7.16 1 5 0 73 280.32 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0307837A2; EP0341602A2; EP0416393A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0410260A2; EP0410260A3; EP0416393A1; US5063208 IBM Patent Data

Activity (Go SEA)

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