UCSF

ZINC39332218

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 20 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) 2.03 6.85 -47.46 3 4 1 49 272.372 2
Hi High (pH 8-9.5) 2.03 4.45 -10.64 2 4 0 48 271.364 2

Vendor Notes

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

Activity (Go SEA)

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