UCSF

ZINC34371130

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 23 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) 7.41 14.62 -3.46 0 2 0 26 322.533 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5178790; US5190688; US5211878; US5286410; US5387369; US5876626 IBM Patent Data

Activity (Go SEA)

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