UCSF

ZINC14756936

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 23 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) 2.97 4.32 -14.05 2 6 0 89 314.293 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5908650; WO1997014319A1 IBM Patent Data

Activity (Go SEA)

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