UCSF

ZINC05699594

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 31 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) 8.02 12.96 -1.03 1 1 0 20 426.729 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4588717; US4705875; US5466452; WO1999063031A1 IBM Patent Data

Activity (Go SEA)

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