UCSF

ZINC38733941

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 28 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) 2.77 3.88 -24.72 3 7 0 105 452.888 9
Hi High (pH 8-9.5) 2.77 5.1 -65.41 2 7 -1 108 451.88 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5189211 IBM Patent Data

Activity (Go SEA)

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