UCSF

ZINC05767949

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 12 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) 3.29 3.49 -4.71 0 2 0 26 170.252 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0665847A1; WO1994010177A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0791625A2; EP0791625A3; US5958574 IBM Patent Data

Activity (Go SEA)

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