UCSF

ZINC47829371

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2010 19 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) 1.48 4.82 -41.24 3 5 1 62 259.333 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0829474A1; US5945434; US6096746 IBM Patent Data

Activity (Go SEA)

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