UCSF

ZINC08550321

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 15 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) 2.89 -1.6 -7.36 2 3 0 48 200.241 2
Mid Mid (pH 6-8) 2.89 -1.02 -25.35 3 3 1 49 201.249 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90 - 92 Enamine Building Blocks
MP 90...92 Enamine Building Blocks
purity 95 Enamine Building Blocks
PUBCHEM_PATENT_ID EP1042305A1; EP1047418A1; EP1049664A1; WO1999032106A1; WO1999032436A1 IBM Patent Data

Activity (Go SEA)

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