UCSF

ZINC04403358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2005 11 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) -1.60 -6.72 -10.47 3 5 0 79 164.157 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6143443; WO1996035239A1 IBM Patent Data

Activity (Go SEA)

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