UCSF

ZINC34541771

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 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) -2.71 4.85 -31.54 4 4 1 61 238.355 6
Lo Low (pH 4.5-6) -2.71 4.77 -92.66 5 4 2 63 239.363 6
Lo Low (pH 4.5-6) -2.71 4.7 -89.15 5 4 2 63 239.363 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999003819A1 IBM Patent Data

Activity (Go SEA)

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