UCSF

ZINC01676554

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 9 Yes

Other Names:

MFCD07780533

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) 2.27 -0.89 -1.86 1 1 0 20 128.215 1

Vendor Notes

Note Type Comments Provided By
MP 120 - 122 Enamine Building Blocks
MP 120...122 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0538231A1; EP0619297B1; US5498630; US5693667; US5705513; US5811411; US5834447; US5849723; US5994270; US5998466; US6028101; US6133252; US6166057; USRE36562 IBM Patent Data

Activity (Go SEA)

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