UCSF

ZINC44253066

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 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) -1.21 -1.86 -41.15 6 4 1 91 195.242 3
Hi High (pH 8-9.5) -1.21 -2.21 -8.89 5 4 0 89 194.234 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5334225 IBM Patent Data

Activity (Go SEA)

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