UCSF

ZINC39122888

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 18 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) 3.60 6.45 -50.25 1 5 -1 78 258.338 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000069855A2 IBM Patent Data

Activity (Go SEA)

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