UCSF

ZINC40834607

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 15 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) 3.86 9.5 -6.97 0 2 0 26 206.285 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0758013A1; EP0758013B1; US3958029; US5855971 IBM Patent Data

Activity (Go SEA)

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