UCSF

ZINC02389642

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 21 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) 2.80 6.14 -51.79 1 6 -1 88 294.327 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0490667A3; EP0490667B1 IBM Patent Data

Activity (Go SEA)

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