UCSF

ZINC00834016

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 26 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) 3.98 3.93 -9.66 0 5 0 68 357.45 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0633776A1; EP0919544A1; EP1051172A2; US5552438; US5602157; US5614540; US5643946; WO1993019749A1 IBM Patent Data

Activity (Go SEA)

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