UCSF

ZINC42384191

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 11 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) 1.08 2.6 -49.08 2 4 -1 79 171.201 2
Mid Mid (pH 6-8) 1.08 3.03 -42.7 3 4 0 80 172.209 2

Vendor Notes

Note Type Comments Provided By
MP 154 - 156 Enamine Building Blocks
MP 154...156 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0436199A1; EP0436199B1; US5120752; WO2000062778A1 IBM Patent Data

Activity (Go SEA)

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