UCSF

ZINC01670875

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 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) 3.43 2.72 -8.82 0 1 0 17 214.239 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0221025A1; EP0279281A2; EP0279281B1; EP0388654A2; EP0388690A1; EP0587670A1; US3963750; US4613610; US4829081; US4870095; US4897422; US4898880; US4916150; US4927851; US4988725; US5026729; US5532374; US5688789; US6017910; WO1986000307A2; WO1992019621A1 IBM Patent Data

Activity (Go SEA)

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