UCSF

ZINC39376554

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 11 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) 1.37 2.83 -8.1 1 2 0 37 154.209 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0115860A2; US4729953 IBM Patent Data

Activity (Go SEA)

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