UCSF

ZINC38252100

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 14 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) 3.67 7.69 -3.98 0 1 0 9 210.342 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5951964 IBM Patent Data

Activity (Go SEA)

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