UCSF

ZINC39349296

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 24 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) 1.47 3.83 -16.12 0 8 0 107 381.834 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4340539; US4380512; US4444687 IBM Patent Data

Activity (Go SEA)

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