UCSF

ZINC34560908

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 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) 3.15 11.31 -48.9 2 4 1 46 370.476 5
Hi High (pH 8-9.5) 3.15 9.21 -8.22 1 4 0 45 369.468 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6054590 IBM Patent Data

Activity (Go SEA)

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