UCSF

ZINC39274391

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 10 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) 2.46 5.19 -8.65 0 2 0 26 156.568 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0013378A1; EP0180188A2; EP0180188B1; EP0180897A2; EP0180897B1; EP0323441A2; EP0323441B1; EP0354297A1; EP0354297B1; EP0436902A1; EP0436902B1; EP0454501A2; EP0454501A3; EP0518238A1; EP0518238B1; EP0545420A3; EP0545420B1; EP0556700B1; EP0563985A1; EP056509 IBM Patent Data

Activity (Go SEA)

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