UCSF

ZINC02044044

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 12 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) 2.31 -2.65 -4.54 2 2 0 40 166.22 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0622393A3; EP0622393B1; US5463013 IBM Patent Data

Activity (Go SEA)

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