UCSF

ZINC34551690

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 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) 3.06 8.46 -16.5 0 3 0 39 269.325 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5620997; US5668162; US6001863; US6133270 IBM Patent Data

Activity (Go SEA)

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