UCSF

ZINC39317690

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) 3.20 7.76 -36.36 1 3 1 17 249.378 4
Hi High (pH 8-9.5) 3.20 5.88 -3.66 0 3 0 16 248.37 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4144346; US4223036; US4335125; US4358449 IBM Patent Data

Activity (Go SEA)

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