UCSF

ZINC34639868

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 No

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) 3.51 6.8 -6.31 1 2 0 29 307.187 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0383281A1; EP0587193A1; EP0587193B1; EP0587194A1; EP0587194B1; US5280032; US5612381; US5658904; US5719150; US5872117 IBM Patent Data

Activity (Go SEA)

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