UCSF

ZINC39332204

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 18 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) 3.71 8.63 -38.26 2 2 1 20 312.206 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3959309; US4062864; US4172834; US4257952 IBM Patent Data

Activity (Go SEA)

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