UCSF

ZINC34560351

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 32 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) 5.09 12.95 -20.68 1 6 0 88 431.536 9
Lo Low (pH 4.5-6) 5.09 12.48 -35.57 2 6 1 89 432.544 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5646171 IBM Patent Data

Activity (Go SEA)

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