UCSF

ZINC06662113

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 11 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) 0.60 3.8 -98.58 0 4 -2 80 158.153 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0246473A1; US5021507 IBM Patent Data
PUBCHEM_PATENT_ID US4059431; US4097591; US4131673; US4880726 IBM Patent Data

Activity (Go SEA)

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