UCSF

ZINC38611003

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 13 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) 4.17 7.98 -6.22 0 1 0 17 178.275 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0468497A2; EP0468497B1; US5834433 IBM Patent Data

Activity (Go SEA)

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