UCSF

ZINC35343654

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 12 Yes

Other Names:

MFCD12173224

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) 0.82 1.5 -7.46 4 3 0 65 159.192 0
Mid Mid (pH 6-8) 0.82 1.95 -26.35 5 3 1 66 160.2 0

Vendor Notes

Note Type Comments Provided By
MP 213 - 215 Enamine Building Blocks
MP 213...215 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID WO2000038683A1 IBM Patent Data

Activity (Go SEA)

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