UCSF

ZINC39039945

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 16 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) 3.74 7.34 -5.53 0 2 0 18 214.264 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0906115A1; US5977132; US6015789; US6048863 IBM Patent Data

Activity (Go SEA)

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