UCSF

ZINC39339800

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 28 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) 2.14 12.41 -48.7 0 5 -1 78 414.528 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4457935 IBM Patent Data

Activity (Go SEA)

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