UCSF

ZINC06469297

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 11 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) -0.32 -5.03 -8.65 2 4 0 58 162.185 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0290203A1; EP0362267A1 IBM Patent Data

Activity (Go SEA)

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