UCSF

ZINC39566098

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 14 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) 3.58 6.43 -5.38 0 1 0 9 204.191 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0232776A2; EP0365678A1; EP0365678B1; EP0389162A1; EP0389162B1; EP0482771A2; EP0482771B1; US4775692; US5086071; US5219874; US5401768; US5410064 IBM Patent Data

Activity (Go SEA)

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