UCSF

ZINC34551913

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 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) 4.46 10.21 -35.33 2 4 1 37 370.561 2
Hi High (pH 8-9.5) 4.46 8 -5.09 1 4 0 36 369.553 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6043366 IBM Patent Data

Activity (Go SEA)

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